ChemSpider 2D Image | 4-Nitrobenzyl allyl{1-[3-phenyl-4-(4-phenyl-1H-imidazol-1-yl)butyl]-4-piperidinyl}carbamate | C35H39N5O4

4-Nitrobenzyl allyl{1-[3-phenyl-4-(4-phenyl-1H-imidazol-1-yl)butyl]-4-piperidinyl}carbamate

  • Molecular FormulaC35H39N5O4
  • Average mass593.715 Da
  • Monoisotopic mass593.300232 Da
  • ChemSpider ID423896

More details:

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

4-nitrobenzyl {1-[3-phenyl-4-(4-phenyl-1H-imidazol-1-yl)butyl]piperidin-4-yl}prop-2-en-1-ylcarbamate
4-Nitrobenzyl allyl{1-[3-phenyl-4-(4-phenyl-1H-imidazol-1-yl)butyl]-4-piperidinyl}carbamate [ACD/IUPAC Name]
4-Nitrobenzyl-allyl{1-[3-phenyl-4-(4-phenyl-1H-imidazol-1-yl)butyl]-4-piperidinyl}carbamat [German] [ACD/IUPAC Name]
Allyl{1-[3-phényl-4-(4-phényl-1H-imidazol-1-yl)butyl]-4-pipéridinyl}carbamate de 4-nitrobenzyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[1-[3-phenyl-4-(4-phenyl-1H-imidazol-1-yl)butyl]-4-piperidinyl]-N-2-propen-1-yl-, (4-nitrophenyl)methyl ester [ACD/Index Name]
Allyl-{1-[3-phenyl-4-(4-phenyl-imidazol-1-yl)-butyl]-piperidin-4-yl}-carbamic acid 4-nitro-benzyl ester
Allyl-{1-[3-phenyl-4-(4-phenyl-imidazol-1-yl)-butyl]-piperidin-4-yl}-carbamic acid, 4-nitro-benzyl ester
CHEMBL320365

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

AIDS104758 [DBID]
AIDS-104758 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 771.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 112.2±3.0 kJ/mol
Flash Point: 420.1±32.9 °C
Index of Refraction: 1.615
Molar Refractivity: 173.8±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 7.72
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 30.04
ACD/KOC (pH 5.5): 38.02
ACD/LogD (pH 7.4): 5.95
ACD/BCF (pH 7.4): 11057.85
ACD/KOC (pH 7.4): 13995.76
Polar Surface Area: 96 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 49.0±7.0 dyne/cm
Molar Volume: 497.7±7.0 cm3

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