ChemSpider 2D Image | 2-{(3S)-3-[(Benzylsulfonyl)amino]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]acetamide | C25H32N6O5S

2-{(3S)-3-[(Benzylsulfonyl)amino]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]acetamide

  • Molecular FormulaC25H32N6O5S
  • Average mass528.624 Da
  • Monoisotopic mass528.215515 Da
  • ChemSpider ID25043577

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1H-1-Benzazepine-1-acetamide, N-[(3S)-1-(aminoiminomethyl)-2-hydroxy-3-piperidinyl]-2,3,4,5-tetrahydro-2-oxo-3-[[(phenylmethyl)sulfonyl]amino]-, (3S)- [ACD/Index Name]
2-{(3S)-3-[(Benzylsulfonyl)amino]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]acetamid [German] [ACD/IUPAC Name]
2-{(3S)-3-[(Benzylsulfonyl)amino]-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-1-yl}-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-piperidinyl]acetamide [ACD/IUPAC Name]
2-{(3S)-3-[(Benzylsulfonyl)amino]-2-oxo-2,3,4,5-tétrahydro-1H-1-benzazépin-1-yl}-N-[(3S)-1-carbamimidoyl-2-hydroxy-3-pipéridinyl]acétamide [French] [ACD/IUPAC Name]
CHEMBL314576

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.698
Molar Refractivity: 137.7±0.5 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.68
ACD/LogD (pH 5.5): -2.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 177 Å2
Polarizability: 54.6±0.5 10-24cm3
Surface Tension: 66.7±7.0 dyne/cm
Molar Volume: 357.1±7.0 cm3

Click to predict properties on the Chemicalize site


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