ChemSpider 2D Image | N-(4-Fluorobenzyl)-3-[2-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3(4H)-quinazolinyl]propanamide | C27H25FN4O4S

N-(4-Fluorobenzyl)-3-[2-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3(4H)-quinazolinyl]propanamide

  • Molecular FormulaC27H25FN4O4S
  • Average mass520.575 Da
  • Monoisotopic mass520.158081 Da
  • ChemSpider ID3504192

More details:

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

3(4H)-Quinazolinepropanamide, N-[(4-fluorophenyl)methyl]-2-[[2-[(3-methoxyphenyl)amino]-2-oxoethyl]thio]-4-oxo- [ACD/Index Name]
N-(4-Fluorbenzyl)-3-[2-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3(4H)-chinazolinyl]propanamid [German] [ACD/IUPAC Name]
N-(4-Fluorobenzyl)-3-[2-({2-[(3-methoxyphenyl)amino]-2-oxoethyl}sulfanyl)-4-oxo-3(4H)-quinazolinyl]propanamide [ACD/IUPAC Name]
N-(4-Fluorobenzyl)-3-[2-({2-[(3-méthoxyphényl)amino]-2-oxoéthyl}sulfanyl)-4-oxo-3(4H)-quinazolinyl]propanamide [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 141.3±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 171.70
ACD/KOC (pH 5.5): 1384.40
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 171.70
ACD/KOC (pH 7.4): 1384.40
Polar Surface Area: 125 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 392.4±7.0 cm3

Click to predict properties on the Chemicalize site


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