ChemSpider 2D Image | 3-{[(2S)-2-Hydroxypropyl]amino}-3-methyl-N-[(3R)-2-oxo-1-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]butanamide | C32H37N7O3

3-{[(2S)-2-Hydroxypropyl]amino}-3-methyl-N-[(3R)-2-oxo-1-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]butanamide

  • Molecular FormulaC32H37N7O3
  • Average mass567.681 Da
  • Monoisotopic mass567.295776 Da
  • ChemSpider ID8048427

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

145455-36-3 [RN]
3-{[(2S)-2-Hydroxypropyl]amino}-3-methyl-N-[(3R)-2-oxo-1-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]butanamid [German] [ACD/IUPAC Name]
3-{[(2S)-2-Hydroxypropyl]amino}-3-methyl-N-[(3R)-2-oxo-1-{[2'-(2H-tetrazol-5-yl)-4-biphenylyl]methyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]butanamide [ACD/IUPAC Name]
3-{[(2S)-2-Hydroxypropyl]amino}-3-méthyl-N-[(3R)-2-oxo-1-{[2'-(2H-tétrazol-5-yl)-4-biphénylyl]méthyl}-2,3,4,5-tétrahydro-1H-1-benzazépin-3-yl]butanamide [French] [ACD/IUPAC Name]
Butanamide, 3-[[(2S)-2-hydroxypropyl]amino]-3-methyl-N-[(3R)-2,3,4,5-tetrahydro-2-oxo-1-[[2'-(2H-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1H-1-benzazepin-3-yl]- [ACD/Index Name]
3-((S)-2-Hydroxy-propylamino)-3-methyl-N-{(R)-2-oxo-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-butyramide
3-(2-Hydroxy-propylamino)-3-methyl-N-{(R)-2-oxo-1-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-yl}-butyramide
3-{[(2S)-2-hydroxypropyl]amino}-3-methyl-N-[(3R)-2-oxo-1-{[2'-(2H-tetrazol-5-yl)biphenyl-4-yl]methyl}-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl]butanamide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL274665/

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: 1.660
Molar Refractivity: 159.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.49
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.18
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.86
Polar Surface Area: 136 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 73.2±5.0 dyne/cm
Molar Volume: 431.3±5.0 cm3

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