ChemSpider 2D Image | Saredutant | C31H35Cl2N3O2

Saredutant

  • Molecular FormulaC31H35Cl2N3O2
  • Average mass552.534 Da
  • Monoisotopic mass551.210632 Da
  • ChemSpider ID94726
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(S)-N-Methyl-N(4-(4-acetylamino-4-phenylpiperidino)-2-(3,4-dichlorophenyl)butyl)benzamide
142001-63-6 [RN]
720U2QK8I5
7487
Benzamide, N-((2S)-4-(4-(acetylamino)-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)butyl)-N-methyl-
Benzamide, N-(4-(4-(acetylamino)-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)butyl)-N-methyl-, (S)-
Benzamide, N-[(2S)-4-[4-(acetylamino)-4-phenyl-1-piperidinyl]-2-(3,4-dichlorophenyl)butyl]-N-methyl- [ACD/Index Name]
N-((2S)-4-(4-Acetamido-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)butyl)-N-methylbenzamide
N-[(2S)-4-(4-Acetamido-4-phenyl-1-piperidinyl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide [ACD/IUPAC Name]
N-[(2S)-4-(4-Acétamido-4-phényl-1-pipéridinyl)-2-(3,4-dichlorophényl)butyl]-N-méthylbenzamide [French] [ACD/IUPAC Name]
More...

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

SR 48968 [DBID]
SR-48965 [DBID]
SR-48968 [DBID]
SR-489686 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 734.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 398.1±32.9 °C
Index of Refraction: 1.628
Molar Refractivity: 155.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.36
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 82.24
ACD/KOC (pH 5.5): 174.21
ACD/LogD (pH 7.4): 5.28
ACD/BCF (pH 7.4): 4189.73
ACD/KOC (pH 7.4): 8875.54
Polar Surface Area: 53 Å2
Polarizability: 61.7±0.5 10-24cm3
Surface Tension: 56.6±5.0 dyne/cm
Molar Volume: 438.3±5.0 cm3

Click to predict properties on the Chemicalize site