ChemSpider 2D Image | 4-[(3-Chloro-4-methoxybenzyl)amino]-2-[3-(hydroxymethyl)-1-pyrrolidinyl]-N-(2-pyrimidinylmethyl)-5-pyrimidinecarboxamide | C23H26ClN7O3

4-[(3-Chloro-4-methoxybenzyl)amino]-2-[3-(hydroxymethyl)-1-pyrrolidinyl]-N-(2-pyrimidinylmethyl)-5-pyrimidinecarboxamide

  • Molecular FormulaC23H26ClN7O3
  • Average mass483.951 Da
  • Monoisotopic mass483.178558 Da
  • ChemSpider ID58126258

More details:

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

4-[(3-Chlor-4-methoxybenzyl)amino]-2-[3-(hydroxymethyl)-1-pyrrolidinyl]-N-(2-pyrimidinylmethyl)-5-pyrimidincarboxamid [German] [ACD/IUPAC Name]
4-[(3-Chloro-4-methoxybenzyl)amino]-2-[3-(hydroxymethyl)-1-pyrrolidinyl]-N-(2-pyrimidinylmethyl)-5-pyrimidinecarboxamide [ACD/IUPAC Name]
4-[(3-Chloro-4-méthoxybenzyl)amino]-2-[3-(hydroxyméthyl)-1-pyrrolidinyl]-N-(2-pyrimidinylméthyl)-5-pyrimidinecarboxamide [French] [ACD/IUPAC Name]
5-Pyrimidinecarboxamide, 4-[[(3-chloro-4-methoxyphenyl)methyl]amino]-2-[3-(hydroxymethyl)-1-pyrrolidinyl]-N-(2-pyrimidinylmethyl)- [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 128.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.34
ACD/LogD (pH 5.5): 2.43
ACD/BCF (pH 5.5): 31.12
ACD/KOC (pH 5.5): 287.53
ACD/LogD (pH 7.4): 2.95
ACD/BCF (pH 7.4): 102.95
ACD/KOC (pH 7.4): 951.15
Polar Surface Area: 125 Å2
Polarizability: 51.1±0.5 10-24cm3
Surface Tension: 70.0±3.0 dyne/cm
Molar Volume: 352.6±3.0 cm3

Click to predict properties on the Chemicalize site


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