ChemSpider 2D Image | 2,6-dimethylphenyl 2-(3,5-dimethoxy-4-(3-(4-methylpiperazin-1-yl)propoxy)phenylamino)pyrimidin- 4-yl(2,4-dimethoxyphenyl)carbamate | C37H46N6O7

2,6-dimethylphenyl 2-(3,5-dimethoxy-4-(3-(4-methylpiperazin-1-yl)propoxy)phenylamino)pyrimidin- 4-yl(2,4-dimethoxyphenyl)carbamate

  • Molecular FormulaC37H46N6O7
  • Average mass686.797 Da
  • Monoisotopic mass686.342773 Da
  • ChemSpider ID10017636

More details:

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

[2-({3,5-Diméthoxy-4-[3-(4-méthyl-1-pipérazinyl)propoxy]phényl}amino)-4-pyrimidinyl](2,4-diméthoxyphényl)carbamate de 2,6-diméthylphényle [French] [ACD/IUPAC Name]
2,6-Dimethylphenyl [2-({3,5-dimethoxy-4-[3-(4-methyl-1-piperazinyl)propoxy]phenyl}amino)-4-pyrimidinyl](2,4-dimethoxyphenyl)carbamate [ACD/IUPAC Name]
2,6-dimethylphenyl 2-((3,5-bis(methyloxy)-4-((3-(4-methyl-1-piperazinyl)propyl)oxy)phenyl)amino)-4-pyrimidinyl(2,4-bis(methyloxy)phenyl)carbamate
2,6-dimethylphenyl 2-(3,5-dimethoxy-4-(3-(4-methylpiperazin-1-yl)propoxy)phenylamino)pyrimidin- 4-yl(2,4-dimethoxyphenyl)carbamate
2,6-Dimethylphenyl-[2-({3,5-dimethoxy-4-[3-(4-methyl-1-piperazinyl)propoxy]phenyl}amino)-4-pyrimidinyl](2,4-dimethoxyphenyl)carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[2-[[3,5-dimethoxy-4-[3-(4-methyl-1-piperazinyl)propoxy]phenyl]amino]-4-pyrimidinyl]-N-(2,4-dimethoxyphenyl)-, 2,6-dimethylphenyl ester [ACD/Index Name]
1N9
2-aminopyrimidine carbamate, 43
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL386760/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 813.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 118.2±3.0 kJ/mol
Flash Point: 445.6±37.1 °C
Index of Refraction: 1.602
Molar Refractivity: 192.8±0.3 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 3.51
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 6.61
ACD/KOC (pH 5.5): 30.14
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 339.70
ACD/KOC (pH 7.4): 1549.53
Polar Surface Area: 120 Å2
Polarizability: 76.4±0.5 10-24cm3
Surface Tension: 51.8±3.0 dyne/cm
Molar Volume: 562.2±3.0 cm3

Click to predict properties on the Chemicalize site


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