ChemSpider 2D Image | ZD6021 | C35H35Cl2N3O2S

ZD6021

  • Molecular FormulaC35H35Cl2N3O2S
  • Average mass632.642 Da
  • Monoisotopic mass631.182678 Da
  • ChemSpider ID8027966

  • 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]-N-methyl- [ACD/Index Name]
3-Cyan-N-[(2S)-2-(3,4-dichlorphenyl)-4-(4-{2-[(S)-methylsulfinyl]phenyl}-1-piperidinyl)butyl]-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]-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]-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]-N-methylnaphthalene-1-carboxamide
ZD6021
(S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,4-dichloro-phenyl)-4-[4-(2-methanesulfinyl-phenyl)-piperidin-1-yl]-butyl}-methyl-amide
255049-08-2 [RN]
3-cyano-N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-[2-[(S)-methylsulfinyl]phenyl]piperidin-1-yl]butyl]-N-methylnaphthalene-1-carboxamide
ZD 6021
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 824.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 452.2±34.3 °C
Index of Refraction: 1.684
Molar Refractivity: 178.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.23
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 29.55
ACD/KOC (pH 5.5): 57.45
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 732.20
ACD/KOC (pH 7.4): 1423.72
Polar Surface Area: 84 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 69.4±5.0 dyne/cm
Molar Volume: 469.3±5.0 cm3

Click to predict properties on the Chemicalize site


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