ChemSpider 2D Image | Tert-Butyl {(2s,3r)-4-[(4s)-7-Fluoro-4-Methyl-1,1-Dioxido-4,5-Dihydro-1,2-Benzothiazepin-2(3h)-Yl]-3-Hydroxy-1-Phenylbutan-2-Yl}carbamate | C25H33FN2O5S

Tert-Butyl {(2s,3r)-4-[(4s)-7-Fluoro-4-Methyl-1,1-Dioxido-4,5-Dihydro-1,2-Benzothiazepin-2(3h)-Yl]-3-Hydroxy-1-Phenylbutan-2-Yl}carbamate

  • Molecular FormulaC25H33FN2O5S
  • Average mass492.603 Da
  • Monoisotopic mass492.209412 Da
  • ChemSpider ID26615445

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{(2S,3R)-4-[(4S)-7-Fluoro-4-méthyl-1,1-dioxydo-4,5-dihydro-1,2-benzothiazépin-2(3H)-yl]-3-hydroxy-1-phényl-2-butanyl}carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl {(2S,3R)-4-[(4S)-7-fluoro-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenyl-2-butanyl}carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-{(2S,3R)-4-[(4S)-7-fluor-4-methyl-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenyl-2-butanyl}carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S,2R)-3-[(4S)-7-fluoro-4,5-dihydro-4-methyl-1,1-dioxido-1,2-benzothiazepin-2(3H)-yl]-2-hydroxy-1-(phenylmethyl)propyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
Tert-Butyl {(2s,3r)-4-[(4s)-7-Fluoro-4-Methyl-1,1-Dioxido-4,5-Dihydro-1,2-Benzothiazepin-2(3h)-Yl]-3-Hydroxy-1-Phenylbutan-2-Yl}carbamate
9Y9

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.560
Molar Refractivity: 129.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.26
ACD/LogD (pH 5.5): 5.10
ACD/BCF (pH 5.5): 4395.53
ACD/KOC (pH 5.5): 14101.36
ACD/LogD (pH 7.4): 5.10
ACD/BCF (pH 7.4): 4395.37
ACD/KOC (pH 7.4): 14100.83
Polar Surface Area: 104 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 45.8±3.0 dyne/cm
Molar Volume: 400.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement