ChemSpider 2D Image | (16S)-N-(3-Ethoxypropyl)-13-methyl-14,18-dioxo-3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-hexadecahydro-2H-1,13,17-benzoxadiazacycloicosine-16-carboxamide | C28H45N3O5

(16S)-N-(3-Ethoxypropyl)-13-methyl-14,18-dioxo-3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-hexadecahydro-2H-1,13,17-benzoxadiazacycloicosine-16-carboxamide

  • Molecular FormulaC28H45N3O5
  • Average mass503.674 Da
  • Monoisotopic mass503.335907 Da
  • ChemSpider ID80824816

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(16S)-N-(3-Ethoxypropyl)-13-methyl-14,18-dioxo-3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-hexadecahydro-2H-1,13,17-benzoxadiazacycloicosin-16-carboxamid [German] [ACD/IUPAC Name]
(16S)-N-(3-Ethoxypropyl)-13-methyl-14,18-dioxo-3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-hexadecahydro-2H-1,13,17-benzoxadiazacycloicosine-16-carboxamide [ACD/IUPAC Name]
(16S)-N-(3-Éthoxypropyl)-13-méthyl-14,18-dioxo-3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-hexadécahydro-2H-1,13,17-benzoxadiazacycloicosine-16-carboxamide [French] [ACD/IUPAC Name]
2H-1,13,17-Benzoxadiazacycloeicosine-16-carboxamide, N-(3-ethoxypropyl)-3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18-hexadecahydro-13-methyl-14,18-dioxo-, (16S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 766.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 417.1±32.9 °C
Index of Refraction: 1.487
Molar Refractivity: 140.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 3.84
ACD/BCF (pH 5.5): 486.59
ACD/KOC (pH 5.5): 2917.93
ACD/LogD (pH 7.4): 3.84
ACD/BCF (pH 7.4): 486.59
ACD/KOC (pH 7.4): 2917.92
Polar Surface Area: 97 Å2
Polarizability: 55.6±0.5 10-24cm3
Surface Tension: 35.4±3.0 dyne/cm
Molar Volume: 488.2±3.0 cm3

Click to predict properties on the Chemicalize site


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