ChemSpider 2D Image | Ethyl N-({3-[(3'-chloro-4-biphenylyl)methyl]-4-oxo-2-propyl-3,4-dihydro-6-quinazolinyl}carbamoyl)-beta-alaninate | C30H31ClN4O4

Ethyl N-({3-[(3'-chloro-4-biphenylyl)methyl]-4-oxo-2-propyl-3,4-dihydro-6-quinazolinyl}carbamoyl)-β-alaninate

  • Molecular FormulaC30H31ClN4O4
  • Average mass547.044 Da
  • Monoisotopic mass546.203369 Da
  • ChemSpider ID2439478

More details:

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

Ethyl N-({3-[(3'-chloro-4-biphenylyl)methyl]-4-oxo-2-propyl-3,4-dihydro-6-quinazolinyl}carbamoyl)-β-alaninate [ACD/IUPAC Name]
Ethyl-N-({3-[(3'-chlor-4-biphenylyl)methyl]-4-oxo-2-propyl-3,4-dihydro-6-chinazolinyl}carbamoyl)-β-alaninat [German] [ACD/IUPAC Name]
N-({3-[(3'-Chloro-4-biphénylyl)méthyl]-4-oxo-2-propyl-3,4-dihydro-6-quinazolinyl}carbamoyl)-β-alaninate d'éthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[[[3-[(3'-chloro[1,1'-biphenyl]-4-yl)methyl]-3,4-dihydro-4-oxo-2-propyl-6-quinazolinyl]amino]carbonyl]-, ethyl ester [ACD/Index Name]

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

ASN 04445930 [DBID]

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: 1.622
Molar Refractivity: 151.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.94
ACD/LogD (pH 5.5): 5.43
ACD/BCF (pH 5.5): 7831.00
ACD/KOC (pH 5.5): 21308.82
ACD/LogD (pH 7.4): 5.43
ACD/BCF (pH 7.4): 7844.93
ACD/KOC (pH 7.4): 21346.76
Polar Surface Area: 100 Å2
Polarizability: 60.2±0.5 10-24cm3
Surface Tension: 48.2±7.0 dyne/cm
Molar Volume: 431.6±7.0 cm3

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