ChemSpider 2D Image | N-[3-(Benzylsulfanyl)-1-({[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl}amino)-1-oxo-2-propanyl]-5-chloro-2-methoxybenzamide | C30H29Cl2N3O4S2

N-[3-(Benzylsulfanyl)-1-({[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl}amino)-1-oxo-2-propanyl]-5-chloro-2-methoxybenzamide

  • Molecular FormulaC30H29Cl2N3O4S2
  • Average mass630.605 Da
  • Monoisotopic mass629.097656 Da
  • ChemSpider ID121072989

More details:






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

Benzamide, 5-chloro-N-[2-[[[4-(3-chloro-4-methoxyphenyl)-2-methyl-5-thiazolyl]methyl]amino]-2-oxo-1-[[(phenylmethyl)thio]methyl]ethyl]-2-methoxy- [ACD/Index Name]
N-[3-(Benzylsulfanyl)-1-({[4-(3-chlor-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl}amino)-1-oxo-2-propanyl]-5-chlor-2-methoxybenzamid [German] [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-({[4-(3-chloro-4-methoxyphenyl)-2-methyl-1,3-thiazol-5-yl]methyl}amino)-1-oxo-2-propanyl]-5-chloro-2-methoxybenzamide [ACD/IUPAC Name]
N-[3-(Benzylsulfanyl)-1-({[4-(3-chloro-4-méthoxyphényl)-2-méthyl-1,3-thiazol-5-yl]méthyl}amino)-1-oxo-2-propanyl]-5-chloro-2-méthoxybenzamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 829.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 120.6±3.0 kJ/mol
Flash Point: 455.5±34.3 °C
Index of Refraction: 1.628
Molar Refractivity: 168.0±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.94
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 23805.41
ACD/KOC (pH 5.5): 47245.02
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 23815.26
ACD/KOC (pH 7.4): 47264.57
Polar Surface Area: 143 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 53.0±3.0 dyne/cm
Molar Volume: 473.7±3.0 cm3

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