ChemSpider 2D Image | AMG-222 | C32H39N9O3

AMG-222

  • Molecular FormulaC32H39N9O3
  • Average mass597.711 Da
  • Monoisotopic mass597.317566 Da
  • ChemSpider ID10151331

  • 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,N',N'-tetramethyl-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,N',N'-tetramethyl-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,N',N'-tétraméthyl-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]-10,11-dihydro-N2,N2,N8,N8-tetramethyl-5-(2H-tetrazol-5-yl)- [ACD/Index Name]
AMG-222
2-[(2S)-2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]propyl]-6-N,6-N,13-N,13-N-tetramethyl-2-(2H-tetrazol-5-yl)tricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene-6,13-dicarboxamide
5H-Dibenzo(a,d)cycloheptene-2,8-dicarboxamide, 5-((2S)-2-((2-((2S)-2-cyano-1-pyrrolidinyl)-2-oxoethyl)amino)propyl)-10,11-dihydro-N2,N2,N8,N8-tetramethyl-5-(2H-tetrazol-5-yl)-
913978-37-7 [RN]
UNII:GH23A7L3EL

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

Density: 1.3±0.1 g/cm3
Boiling Point: 869.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 126.4±3.0 kJ/mol
Flash Point: 479.7±37.1 °C
Index of Refraction: 1.647
Molar Refractivity: 162.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -2.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 151 Å2
Polarizability: 64.6±0.5 10-24cm3
Surface Tension: 75.0±5.0 dyne/cm
Molar Volume: 448.2±5.0 cm3

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