ChemSpider 2D Image | 3-Cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-(4-{2-[(S)-methylsulfinyl]phenyl}-1-piperidinyl)butyl]-2-methoxy-N-methyl-1-naphthamide | C36H37Cl2N3O3S

3-Cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-(4-{2-[(S)-methylsulfinyl]phenyl}-1-piperidinyl)butyl]-2-methoxy-N-methyl-1-naphthamide

  • Molecular FormulaC36H37Cl2N3O3S
  • Average mass662.668 Da
  • Monoisotopic mass661.193237 Da
  • ChemSpider ID7985632

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Naphthalenecarboxamide, 3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-[(S)-(1S)-methylsulfinyl]phenyl]-1-piperidinyl]butyl]-2-methoxy-N-methyl- [ACD/Index Name]
3-Cyan-N-[(2S)-2-(3,4-dichlorphenyl)-4-(4-{2-[(S)-methylsulfinyl]phenyl}-1-piperidinyl)butyl]-2-methoxy-N-methyl-1-naphthamid [German] [ACD/IUPAC Name]
3-Cyano-N-[(2S)-2-(3,4-dichlorophényl)-4-(4-{2-[(S)-méthylsulfinyl]phényl}-1-pipéridinyl)butyl]-2-méthoxy-N-méthyl-1-naphtamide [French] [ACD/IUPAC Name]
3-Cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-(4-{2-[(S)-methylsulfinyl]phenyl}-1-piperidinyl)butyl]-2-methoxy-N-methyl-1-naphthamide [ACD/IUPAC Name]
3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-(4-{2-[(S)-methylsulfinyl]phenyl}piperidin-1-yl)butyl]-2-methoxy-N-methylnaphthalene-1-carboxamide
3-Cyano-2-methoxy-naphthalene-1-carboxylic acid ((S)-2-(3,4-dichloro-phenyl)-4-{4-[2-((S)-methanesulfinyl)-phenyl]-piperidin-1-yl}-butyl)-methyl-amide
CHEMBL129321
ZD-4974

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

Density: 1.4±0.1 g/cm3
Boiling Point: 848.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.3±3.0 kJ/mol
Flash Point: 467.0±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 184.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.80
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 47.71
ACD/KOC (pH 5.5): 81.21
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 1209.38
ACD/KOC (pH 7.4): 2058.80
Polar Surface Area: 93 Å2
Polarizability: 73.2±0.5 10-24cm3
Surface Tension: 68.7±5.0 dyne/cm
Molar Volume: 490.7±5.0 cm3

Click to predict properties on the Chemicalize site


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