ChemSpider 2D Image | 3-BENZOYL-N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE | C29H33N3O5S

3-BENZOYL-N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE

  • Molecular FormulaC29H33N3O5S
  • Average mass535.654 Da
  • Monoisotopic mass535.214111 Da
  • ChemSpider ID4484321
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

3-BENZOYL-N-[(1S,2R)-1-BENZYL-3-(CYCLOPROPYLAMINO)-2-HYDROXYPROPYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE
3-Benzoyl-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenyl-2-butanyl]-5-[methyl(methylsulfonyl)amino]benzamid [German] [ACD/IUPAC Name]
3-Benzoyl-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phenyl-2-butanyl]-5-[methyl(methylsulfonyl)amino]benzamide [ACD/IUPAC Name]
3-Benzoyl-N-[(2S,3R)-4-(cyclopropylamino)-3-hydroxy-1-phényl-2-butanyl]-5-[méthyl(méthylsulfonyl)amino]benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-benzoyl-N-[(1S,2R)-3-(cyclopropylamino)-2-hydroxy-1-(phenylmethyl)propyl]-5-[methyl(methylsulfonyl)amino]- [ACD/Index Name]
3BN
L-000430469

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 146.8±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 2.89
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.30
ACD/LogD (pH 7.4): 2.02
ACD/BCF (pH 7.4): 11.77
ACD/KOC (pH 7.4): 107.64
Polar Surface Area: 124 Å2
Polarizability: 58.2±0.5 10-24cm3
Surface Tension: 65.4±5.0 dyne/cm
Molar Volume: 401.8±5.0 cm3

Click to predict properties on the Chemicalize site






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