ChemSpider 2D Image | Methyl 2-(N-{[5-amino-2-(3-methoxyphenyl)-6-oxo-1(6H)-pyrimidinyl]acetyl}-L-phenylalanyl)-1,3-benzoxazole-5-carboxylate | C31H27N5O7

Methyl 2-(N-{[5-amino-2-(3-methoxyphenyl)-6-oxo-1(6H)-pyrimidinyl]acetyl}-L-phenylalanyl)-1,3-benzoxazole-5-carboxylate

  • Molecular FormulaC31H27N5O7
  • Average mass581.575 Da
  • Monoisotopic mass581.191040 Da
  • ChemSpider ID23320589

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-(N-{2-[5-Amino-2-(3-méthoxyphényl)-6-oxo-1(6H)-pyrimidinyl]acétyl}-L-phénylalanyl)-1,3-benzoxazole-5-carboxylate de méthyle [French] [ACD/IUPAC Name]
5-Benzoxazolecarboxylic acid, 2-[(2S)-2-[[2-[5-amino-2-(3-methoxyphenyl)-6-oxo-1(6H)-pyrimidinyl]acetyl]amino]-1-oxo-3-phenylpropyl]-, methyl ester [ACD/Index Name]
Methyl 2-(N-{[5-amino-2-(3-methoxyphenyl)-6-oxo-1(6H)-pyrimidinyl]acetyl}-L-phenylalanyl)-1,3-benzoxazole-5-carboxylate [ACD/IUPAC Name]
methyl 2-(N-{[5-amino-2-(3-methoxyphenyl)-6-oxopyrimidin-1(6H)-yl]acetyl}-L-phenylalanyl)-1,3-benzoxazole-5-carboxylate
Methyl-2-(N-{[5-amino-2-(3-methoxyphenyl)-6-oxo-1(6H)-pyrimidinyl]acetyl}-L-phenylalanyl)-1,3-benzoxazol-5-carboxylat [German] [ACD/IUPAC Name]
(S)-methyl 2-(2-(2-(5-amino-2-(3-methoxyphenyl)-6-oxopyrimidin-1(6H)-yl)acetamido)-3-phenylpropanoyl)benzo[d]oxazole-5-carboxylate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL402185/

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: 1.666
Molar Refractivity: 154.9±0.5 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.93
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.90
ACD/KOC (pH 5.5): 337.42
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.91
ACD/KOC (pH 7.4): 337.63
Polar Surface Area: 166 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 416.6±7.0 cm3

Click to predict properties on the Chemicalize site


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