ChemSpider 2D Image | (2S,3S)-N~4~-Hydroxy-2-isobutyl-N~1~-[(2R)-1-(methylamino)-1-oxo-3-phenyl-2-propanyl]-3-[(2-thienylsulfanyl)methyl]succinamide | C23H31N3O4S2

(2S,3S)-N4-Hydroxy-2-isobutyl-N1-[(2R)-1-(methylamino)-1-oxo-3-phenyl-2-propanyl]-3-[(2-thienylsulfanyl)methyl]succinamide

  • Molecular FormulaC23H31N3O4S2
  • Average mass477.640 Da
  • Monoisotopic mass477.175598 Da
  • ChemSpider ID29315039

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3S)-N4-Hydroxy-2-isobutyl-N1-[(2R)-1-(methylamino)-1-oxo-3-phenyl-2-propanyl]-3-[(2-thienylsulfanyl)methyl]succinamid [German] [ACD/IUPAC Name]
(2S,3S)-N4-Hydroxy-2-isobutyl-N1-[(2R)-1-(methylamino)-1-oxo-3-phenyl-2-propanyl]-3-[(2-thienylsulfanyl)methyl]succinamide [ACD/IUPAC Name]
(2S,3S)-N4-Hydroxy-2-isobutyl-N1-[(2R)-1-(méthylamino)-1-oxo-3-phényl-2-propanyl]-3-[(2-thiénylsulfanyl)méthyl]succinamide [French] [ACD/IUPAC Name]
Butanediamide, N4-hydroxy-N1-[(1R)-2-(methylamino)-2-oxo-1-(phenylmethyl)ethyl]-2-(2-methylpropyl)-3-[(2-thienylthio)methyl]-, (2S,3S)- [ACD/Index Name]
Batimastat [BAN] [INN] [USAN] [Wiki]

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

BB-94 [DBID]

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: 1.605
Molar Refractivity: 130.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.20
ACD/KOC (pH 5.5): 900.72
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 92.06
ACD/KOC (pH 7.4): 880.28
Polar Surface Area: 161 Å2
Polarizability: 51.8±0.5 10-24cm3
Surface Tension: 57.7±5.0 dyne/cm
Molar Volume: 379.1±5.0 cm3

Click to predict properties on the Chemicalize site


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