ChemSpider 2D Image | Cyclopropyl(4-{6-[(4-iodophenyl)amino]-2-(3-methoxyphenyl)-4-pyrimidinyl}-1-piperazinyl)methanone | C25H26IN5O2

Cyclopropyl(4-{6-[(4-iodophenyl)amino]-2-(3-methoxyphenyl)-4-pyrimidinyl}-1-piperazinyl)methanone

  • Molecular FormulaC25H26IN5O2
  • Average mass555.411 Da
  • Monoisotopic mass555.113098 Da
  • ChemSpider ID121540369

More details:

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

Cyclopropyl(4-{6-[(4-iodophenyl)amino]-2-(3-methoxyphenyl)-4-pyrimidinyl}-1-piperazinyl)methanone [ACD/IUPAC Name]
Cyclopropyl(4-{6-[(4-iodophényl)amino]-2-(3-méthoxyphényl)-4-pyrimidinyl}-1-pipérazinyl)méthanone [French] [ACD/IUPAC Name]
Cyclopropyl(4-{6-[(4-iodphenyl)amino]-2-(3-methoxyphenyl)-4-pyrimidinyl}-1-piperazinyl)methanon [German] [ACD/IUPAC Name]
Methanone, cyclopropyl[4-[6-[(4-iodophenyl)amino]-2-(3-methoxyphenyl)-4-pyrimidinyl]-1-piperazinyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 644.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 343.7±31.5 °C
Index of Refraction: 1.688
Molar Refractivity: 136.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 3.74
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 99.13
ACD/KOC (pH 5.5): 448.37
ACD/LogD (pH 7.4): 4.34
ACD/BCF (pH 7.4): 1131.34
ACD/KOC (pH 7.4): 5116.99
Polar Surface Area: 71 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 65.8±3.0 dyne/cm
Molar Volume: 357.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement