ChemSpider 2D Image | 5-[(2S)-2-({2-[(2S)-2-Cyano-1-pyrrolidinyl]-2-oxoethyl}amino)propyl]-N,N'-diethyl-5-(2H-tetrazol-5-yl)-10,11-dihydro-5H-dibenzo[a,d][7]annulene-2,8-dicarboxamide | C32H39N9O3

5-[(2S)-2-({2-[(2S)-2-Cyano-1-pyrrolidinyl]-2-oxoethyl}amino)propyl]-N,N'-diethyl-5-(2H-tetrazol-5-yl)-10,11-dihydro-5H-dibenzo[a,d][7]annulene-2,8-dicarboxamide

  • Molecular FormulaC32H39N9O3
  • Average mass597.711 Da
  • Monoisotopic mass597.317566 Da
  • ChemSpider ID10151217

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

5-[(2S)-2-({2-[(2S)-2-Cyan-1-pyrrolidinyl]-2-oxoethyl}amino)propyl]-N,N'-diethyl-5-(2H-tetrazol-5-yl)-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2,8-dicarboxamid [German] [ACD/IUPAC Name]
5-[(2S)-2-({2-[(2S)-2-Cyano-1-pyrrolidinyl]-2-oxoethyl}amino)propyl]-N,N'-diethyl-5-(2H-tetrazol-5-yl)-10,11-dihydro-5H-dibenzo[a,d][7]annulene-2,8-dicarboxamide [ACD/IUPAC Name]
5-[(2S)-2-({2-[(2S)-2-Cyano-1-pyrrolidinyl]-2-oxoéthyl}amino)propyl]-N,N'-diéthyl-5-(2H-tétrazol-5-yl)-10,11-dihydro-5H-dibenzo[a,d][7]annulène-2,8-dicarboxamide [French] [ACD/IUPAC Name]
5H-Dibenzo[a,d]cycloheptene-2,8-dicarboxamide, 5-[(2S)-2-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]propyl]-N2,N8-diethyl-10,11-dihydro-5-(2H-tetrazol-5-yl)- [ACD/Index Name]

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: 1.641
Molar Refractivity: 162.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.66
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 64.4±0.5 10-24cm3
Surface Tension: 74.3±5.0 dyne/cm
Molar Volume: 450.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement