ChemSpider 2D Image | N-{4-[(2Z)-2-[(3-Fluorophenyl)imino]-3-(2-furylmethyl)-4-oxo-1,3-thiazolidin-5-yl]phenyl}-N~2~-(phenylacetyl)-L-alaninamide | C31H27FN4O4S

N-{4-[(2Z)-2-[(3-Fluorophenyl)imino]-3-(2-furylmethyl)-4-oxo-1,3-thiazolidin-5-yl]phenyl}-N2-(phenylacetyl)-L-alaninamide

  • Molecular FormulaC31H27FN4O4S
  • Average mass570.634 Da
  • Monoisotopic mass570.173706 Da
  • ChemSpider ID8069948
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres


More details:






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

Benzeneacetamide, N-[(1S)-2-[[4-[(2Z)-2-[(3-fluorophenyl)imino]-3-(2-furanylmethyl)-4-oxo-5-thiazolidinyl]phenyl]amino]-1-methyl-2-oxoethyl]- [ACD/Index Name]
N-{4-[(2Z)-2-[(3-Fluorophényl)imino]-3-(2-furylméthyl)-4-oxo-1,3-thiazolidin-5-yl]phényl}-N2-(2-phénylacétyl)-L-alaninamide [French] [ACD/IUPAC Name]
N-{4-[(2Z)-2-[(3-Fluorophenyl)imino]-3-(2-furylmethyl)-4-oxo-1,3-thiazolidin-5-yl]phenyl}-N2-(phenylacetyl)-L-alaninamide [ACD/IUPAC Name]
N-{4-[(2Z)-2-[(3-Fluorphenyl)imino]-3-(2-furylmethyl)-4-oxo-1,3-thiazolidin-5-yl]phenyl}-N2-(phenylacetyl)-L-alaninamid [German] [ACD/IUPAC Name]
657413-96-2 [RN]
BMS-824

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: 1.656
Molar Refractivity: 157.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.30
ACD/LogD (pH 5.5): 3.89
ACD/BCF (pH 5.5): 535.76
ACD/KOC (pH 5.5): 3126.06
ACD/LogD (pH 7.4): 3.89
ACD/BCF (pH 7.4): 535.76
ACD/KOC (pH 7.4): 3126.06
Polar Surface Area: 129 Å2
Polarizability: 62.3±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 428.0±7.0 cm3

Click to predict properties on the Chemicalize site






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