ChemSpider 2D Image | 4-{4-[2-(Benzylamino)-2-oxoethoxy]-3-ethoxyphenyl}-N-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide | C29H29ClN4O5

4-{4-[2-(Benzylamino)-2-oxoethoxy]-3-ethoxyphenyl}-N-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide

  • Molecular FormulaC29H29ClN4O5
  • Average mass549.017 Da
  • Monoisotopic mass548.182678 Da
  • ChemSpider ID2233353

More details:

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

4-{4-[2-(Benzylamino)-2-oxoethoxy]-3-ethoxyphenyl}-N-(2-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide [ACD/IUPAC Name]
4-{4-[2-(Benzylamino)-2-oxoéthoxy]-3-éthoxyphényl}-N-(2-chlorophényl)-6-méthyl-2-oxo-1,2,3,4-tétrahydro-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
4-{4-[2-(Benzylamino)-2-oxoethoxy]-3-ethoxyphenyl}-N-(2-chlorphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
5-Pyrimidinecarboxamide, N-(2-chlorophenyl)-4-[3-ethoxy-4-[2-oxo-2-[(phenylmethyl)amino]ethoxy]phenyl]-1,2,3,4-tetrahydro-6-methyl-2-oxo- [ACD/Index Name]
2-(4-{5-[N-(2-chlorophenyl)carbamoyl]-6-methyl-2-oxo(1,3,4-trihydropyrimidin-4-yl)}-2-ethoxyphenoxy)-N-benzylacetamide
4-[4-(Benzylcarbamoyl-methoxy)-3-ethoxy-phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-pyrimidine-5-carboxylic acid (2-chloro-phenyl)-amide

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

Density: 1.3±0.1 g/cm3
Boiling Point: 788.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 114.8±3.0 kJ/mol
Flash Point: 430.9±32.9 °C
Index of Refraction: 1.617
Molar Refractivity: 148.0±0.3 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.85
ACD/LogD (pH 5.5): 4.09
ACD/BCF (pH 5.5): 762.32
ACD/KOC (pH 5.5): 4023.76
ACD/LogD (pH 7.4): 4.09
ACD/BCF (pH 7.4): 761.89
ACD/KOC (pH 7.4): 4021.51
Polar Surface Area: 118 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 53.3±3.0 dyne/cm
Molar Volume: 423.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement