ChemSpider 2D Image | Methyl 4-({1-[(2,5-dichlorophenyl)sulfonyl]-4-piperidinyl}carbonyl)-1,4-diazepane-1-carboxylate | C19H25Cl2N3O5S

Methyl 4-({1-[(2,5-dichlorophenyl)sulfonyl]-4-piperidinyl}carbonyl)-1,4-diazepane-1-carboxylate

  • Molecular FormulaC19H25Cl2N3O5S
  • Average mass478.390 Da
  • Monoisotopic mass477.089203 Da
  • ChemSpider ID70210760

More details:

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

1H-1,4-Diazepine-1-carboxylic acid, 4-[[1-[(2,5-dichlorophenyl)sulfonyl]-4-piperidinyl]carbonyl]hexahydro-, methyl ester [ACD/Index Name]
4-({1-[(2,5-Dichlorophényl)sulfonyl]-4-pipéridinyl}carbonyl)-1,4-diazépane-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-({1-[(2,5-dichlorophenyl)sulfonyl]-4-piperidinyl}carbonyl)-1,4-diazepane-1-carboxylate [ACD/IUPAC Name]
Methyl-4-({1-[(2,5-dichlorphenyl)sulfonyl]-4-piperidinyl}carbonyl)-1,4-diazepan-1-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 647.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.4±3.0 kJ/mol
Flash Point: 345.1±34.3 °C
Index of Refraction: 1.591
Molar Refractivity: 114.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 3.31
ACD/BCF (pH 5.5): 192.65
ACD/KOC (pH 5.5): 1503.30
ACD/LogD (pH 7.4): 3.31
ACD/BCF (pH 7.4): 192.65
ACD/KOC (pH 7.4): 1503.30
Polar Surface Area: 96 Å2
Polarizability: 45.6±0.5 10-24cm3
Surface Tension: 55.4±3.0 dyne/cm
Molar Volume: 339.9±3.0 cm3

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