ChemSpider 2D Image | N-{3-[Butyl(phenyl)amino]propyl}-N~2~-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)carbonothioyl]glycinamide | C27H37N5O2S

N-{3-[Butyl(phenyl)amino]propyl}-N2-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)carbonothioyl]glycinamide

  • Molecular FormulaC27H37N5O2S
  • Average mass495.680 Da
  • Monoisotopic mass495.266785 Da
  • ChemSpider ID21470978

More details:

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

Acetamide, N-[3-(butylphenylamino)propyl]-2-[[(1,5,6,8-tetrahydro-8-oxo-1,5-methano-2H-pyrido[1,2-a][1,5]diazocin-3(4H)-yl)thioxomethyl]amino]- [ACD/Index Name]
N-{3-[Butyl(phenyl)amino]propyl}-N2-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)carbonothioyl]glycinamid [German] [ACD/IUPAC Name]
N-{3-[Butyl(phenyl)amino]propyl}-N2-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)carbonothioyl]glycinamide [ACD/IUPAC Name]
N-{3-[Butyl(phényl)amino]propyl}-N2-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridéca-2,4-dién-11-yl)carbonothioyl]glycinamide [French] [ACD/IUPAC Name]
N1-{3-[butyl(phenyl)amino]propyl}-N2-[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)carbonothioyl]glycinamide

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.645
Molar Refractivity: 143.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 2.71
ACD/LogD (pH 5.5): 2.02
ACD/BCF (pH 5.5): 17.23
ACD/KOC (pH 5.5): 223.12
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.03
ACD/KOC (pH 7.4): 414.84
Polar Surface Area: 100 Å2
Polarizability: 57.0±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 396.6±5.0 cm3

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