ChemSpider 2D Image | 1-Amino-N-[(3R)-4-oxo-5-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-2,3,4,5-tetrahydro-1H-naphtho[2,1-b]azepin-3-yl]cyclopropanecarboxamide | C32H29N7O2

1-Amino-N-[(3R)-4-oxo-5-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-2,3,4,5-tetrahydro-1H-naphtho[2,1-b]azepin-3-yl]cyclopropanecarboxamide

  • Molecular FormulaC32H29N7O2
  • Average mass543.618 Da
  • Monoisotopic mass543.238281 Da
  • ChemSpider ID23187066

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Amino-N-[(3R)-4-oxo-5-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-2,3,4,5-tetrahydro-1H-naphtho[2,1-b]azepin-3-yl]cyclopropancarboxamid [German] [ACD/IUPAC Name]
1-Amino-N-[(3R)-4-oxo-5-{[2'-(1H-tetrazol-5-yl)-4-biphenylyl]methyl}-2,3,4,5-tetrahydro-1H-naphtho[2,1-b]azepin-3-yl]cyclopropanecarboxamide [ACD/IUPAC Name]
1-Amino-N-[(3R)-4-oxo-5-{[2'-(1H-tétrazol-5-yl)-4-biphénylyl]méthyl}-2,3,4,5-tétrahydro-1H-naphto[2,1-b]azépin-3-yl]cyclopropanecarboxamide [French] [ACD/IUPAC Name]
1-amino-N-[(3R)-4-oxo-5-{[2'-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}-2,3,4,5-tetrahydro-1H-naphtho[2,1-b]azepin-3-yl]cyclopropanecarboxamide
Cyclopropanecarboxamide, 1-amino-N-[(3R)-2,3,4,5-tetrahydro-4-oxo-5-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-naphth[2,1-b]azepin-3-yl]- [ACD/Index Name]
1-Amino-cyclopropanecarboxylic acid {(R)-4-oxo-5-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,3,4,5-tetrahydro-1H-naphtho[2,1-b]azepin-3-yl}-amide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL418784/

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.752
Molar Refractivity: 154.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.51
ACD/LogD (pH 7.4): 1.12
ACD/BCF (pH 7.4): 1.37
ACD/KOC (pH 7.4): 11.63
Polar Surface Area: 130 Å2
Polarizability: 61.3±0.5 10-24cm3
Surface Tension: 88.8±5.0 dyne/cm
Molar Volume: 379.0±5.0 cm3

Click to predict properties on the Chemicalize site


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