ChemSpider 2D Image | [6-Amino-1-(3,4-dichlorobenzyl)-3-methyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl][2-(2-hydroxyethyl)-1-piperidinyl]methanone | C26H29Cl2N5O3

[6-Amino-1-(3,4-dichlorobenzyl)-3-methyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl][2-(2-hydroxyethyl)-1-piperidinyl]methanone

  • Molecular FormulaC26H29Cl2N5O3
  • Average mass530.446 Da
  • Monoisotopic mass529.164734 Da
  • ChemSpider ID119922444

More details:

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

[6-Amino-1-(3,4-dichlorbenzyl)-3-methyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl][2-(2-hydroxyethyl)-1-piperidinyl]methanon [German] [ACD/IUPAC Name]
[6-Amino-1-(3,4-dichlorobenzyl)-3-methyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl][2-(2-hydroxyethyl)-1-piperidinyl]methanone [ACD/IUPAC Name]
[6-Amino-1-(3,4-dichlorobenzyl)-3-méthyl-4-(1H-pyrrol-2-yl)-1,4-dihydropyrano[2,3-c]pyrazol-5-yl][2-(2-hydroxyéthyl)-1-pipéridinyl]méthanone [French] [ACD/IUPAC Name]
Methanone, [6-amino-1-[(3,4-dichlorophenyl)methyl]-1,4-dihydro-3-methyl-4-(1H-pyrrol-2-yl)pyrano[2,3-c]pyrazol-5-yl][2-(2-hydroxyethyl)-1-piperidinyl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 751.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 115.0±3.0 kJ/mol
Flash Point: 408.4±32.9 °C
Index of Refraction: 1.704
Molar Refractivity: 137.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.70
ACD/LogD (pH 5.5): 3.13
ACD/BCF (pH 5.5): 139.82
ACD/KOC (pH 5.5): 1185.65
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 143.73
ACD/KOC (pH 7.4): 1218.83
Polar Surface Area: 109 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 58.3±7.0 dyne/cm
Molar Volume: 354.6±7.0 cm3

Click to predict properties on the Chemicalize site


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