ChemSpider 2D Image | N-{4-[3-(3,4-Dichlorobenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-3,3-dimethylbutanamide | C23H27Cl2N3O2

N-{4-[3-(3,4-Dichlorobenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-3,3-dimethylbutanamide

  • Molecular FormulaC23H27Cl2N3O2
  • Average mass448.385 Da
  • Monoisotopic mass447.148041 Da
  • ChemSpider ID22852193

More details:

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

Butanamide, N-[4-[3-[(3,4-dichlorophenyl)methyl]tetrahydro-2-oxo-1(2H)-pyrimidinyl]phenyl]-3,3-dimethyl- [ACD/Index Name]
N-{4-[3-(3,4-Dichlorbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-3,3-dimethylbutanamid [German] [ACD/IUPAC Name]
N-{4-[3-(3,4-Dichlorobenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-3,3-dimethylbutanamide [ACD/IUPAC Name]
N-{4-[3-(3,4-Dichlorobenzyl)-2-oxotétrahydro-1(2H)-pyrimidinyl]phényl}-3,3-diméthylbutanamide [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: 622.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 330.2±31.5 °C
Index of Refraction: 1.612
Molar Refractivity: 121.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 5025.09
ACD/KOC (pH 5.5): 15518.81
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 5025.61
ACD/KOC (pH 7.4): 15520.41
Polar Surface Area: 53 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 53.6±3.0 dyne/cm
Molar Volume: 350.6±3.0 cm3

Click to predict properties on the Chemicalize site


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