ChemSpider 2D Image | 1-[5-Tert-Butyl-3-({4-[2-(Dimethylamino)ethyl]-5-Oxo-1,4-Diazepan-1-Yl}carbonyl)thiophen-2-Yl]-3-(2,3-Dichlorophenyl)urea | C25H33Cl2N5O3S

1-[5-Tert-Butyl-3-({4-[2-(Dimethylamino)ethyl]-5-Oxo-1,4-Diazepan-1-Yl}carbonyl)thiophen-2-Yl]-3-(2,3-Dichlorophenyl)urea

  • Molecular FormulaC25H33Cl2N5O3S
  • Average mass554.532 Da
  • Monoisotopic mass553.168091 Da
  • ChemSpider ID26328439

More details:

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

1-(2,3-Dichlorophenyl)-3-[3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)-5-(2-methyl-2-propanyl)-2-thienyl]urea [ACD/IUPAC Name]
1-(2,3-Dichlorophényl)-3-[3-({4-[2-(diméthylamino)éthyl]-5-oxo-1,4-diazépan-1-yl}carbonyl)-5-(2-méthyl-2-propanyl)-2-thiényl]urée [French] [ACD/IUPAC Name]
1-(2,3-Dichlorphenyl)-3-[3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)-5-(2-methyl-2-propanyl)-2-thienyl]harnstoff [German] [ACD/IUPAC Name]
1-[5-Tert-Butyl-3-({4-[2-(Dimethylamino)ethyl]-5-Oxo-1,4-Diazepan-1-Yl}carbonyl)thiophen-2-Yl]-3-(2,3-Dichlorophenyl)urea
Urea, N-(2,3-dichlorophenyl)-N'-[3-[[4-[2-(dimethylamino)ethyl]hexahydro-5-oxo-1H-1,4-diazepin-1-yl]carbonyl]-5-(1,1-dimethylethyl)-2-thienyl]- [ACD/Index Name]
P7C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 630.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.2±3.0 kJ/mol
Flash Point: 334.9±31.5 °C
Index of Refraction: 1.624
Molar Refractivity: 147.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 5.64
ACD/KOC (pH 5.5): 18.14
ACD/LogD (pH 7.4): 3.68
ACD/BCF (pH 7.4): 170.04
ACD/KOC (pH 7.4): 547.03
Polar Surface Area: 113 Å2
Polarizability: 58.5±0.5 10-24cm3
Surface Tension: 57.6±3.0 dyne/cm
Molar Volume: 418.2±3.0 cm3

Click to predict properties on the Chemicalize site


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