ChemSpider 2D Image | 2-{[(2-Chlorobenzoyl)(isopropyl)amino]methyl}-5-(diethylamino)phenyl methanesulfonate | C22H29ClN2O4S

2-{[(2-Chlorobenzoyl)(isopropyl)amino]methyl}-5-(diethylamino)phenyl methanesulfonate

  • Molecular FormulaC22H29ClN2O4S
  • Average mass452.995 Da
  • Monoisotopic mass452.153656 Da
  • ChemSpider ID21545093

More details:

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

2-{[(2-Chlorbenzoyl)(isopropyl)amino]methyl}-5-(diethylamino)phenyl-methansulfonat [German] [ACD/IUPAC Name]
2-{[(2-Chlorobenzoyl)(isopropyl)amino]methyl}-5-(diethylamino)phenyl methanesulfonate [ACD/IUPAC Name]
Benzamide, 2-chloro-N-[[4-(diethylamino)-2-[(methylsulfonyl)oxy]phenyl]methyl]-N-(1-methylethyl)- [ACD/Index Name]
Méthanesulfonate de 2-{[(2-chlorobenzoyl)(isopropyl)amino]méthyl}-5-(diéthylamino)phényle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 624.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 331.2±31.5 °C
Index of Refraction: 1.574
Molar Refractivity: 121.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.55
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 712.78
ACD/KOC (pH 5.5): 3571.51
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 912.21
ACD/KOC (pH 7.4): 4570.83
Polar Surface Area: 75 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 47.8±3.0 dyne/cm
Molar Volume: 366.8±3.0 cm3

Click to predict properties on the Chemicalize site


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