ChemSpider 2D Image | SAR-150640 FREE BASE | C25H34N2O7S

SAR-150640 FREE BASE

  • Molecular FormulaC25H34N2O7S
  • Average mass506.612 Da
  • Monoisotopic mass506.208679 Da
  • ChemSpider ID34246564

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

4-(trans-4-{[(2S)-2-Hydroxy-3-{4-hydroxy-3-[(méthylsulfonyl)amino]phénoxy}propyl]amino}cyclohexyl)benzoate d'éthyle [French] [ACD/IUPAC Name]
433212-41-0 [RN]
Benzoic acid, 4-[trans-4-[[(2S)-2-hydroxy-3-[4-hydroxy-3-[(methylsulfonyl)amino]phenoxy]propyl]amino]cyclohexyl]-, ethyl ester [ACD/Index Name]
Ethyl 4-(trans-4-{[(2S)-2-hydroxy-3-{4-hydroxy-3-[(methylsulfonyl)amino]phenoxy}propyl]amino}cyclohexyl)benzoate [ACD/IUPAC Name]
Ethyl-4-(trans-4-{[(2S)-2-hydroxy-3-{4-hydroxy-3-[(methylsulfonyl)amino]phenoxy}propyl]amino}cyclohexyl)benzoat [German] [ACD/IUPAC Name]
SAR-150640 FREE BASE
Ethyl 4-(trans-4-{[(2S)-2-hydroxy-3-{4-hydroxy-3-[(methanesulfonyl)amino]phenoxy}propyl]amino}cyclohexyl)benzoate

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

4156EGA4J7 [DBID]
UNII:4156EGA4J7 [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: 714.7±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±3.0 kJ/mol
Flash Point: 386.0±35.7 °C
Index of Refraction: 1.611
Molar Refractivity: 132.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.87
ACD/LogD (pH 7.4): 1.62
ACD/BCF (pH 7.4): 3.59
ACD/KOC (pH 7.4): 25.68
Polar Surface Area: 143 Å2
Polarizability: 52.5±0.5 10-24cm3
Surface Tension: 62.8±5.0 dyne/cm
Molar Volume: 381.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement