ChemSpider 2D Image | 3-{4-[({2-[(2-Methoxyphenyl)amino]-1,3-benzoxazol-6-yl}acetyl)amino]phenyl}-3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}propanoic acid | C30H27N5O7

3-{4-[({2-[(2-Methoxyphenyl)amino]-1,3-benzoxazol-6-yl}acetyl)amino]phenyl}-3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}propanoic acid

  • Molecular FormulaC30H27N5O7
  • Average mass569.565 Da
  • Monoisotopic mass569.191040 Da
  • ChemSpider ID8069926

More details:

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

3-{4-[({2-[(2-Methoxyphenyl)amino]-1,3-benzoxazol-6-yl}acetyl)amino]phenyl}-3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}propanoic acid [ACD/IUPAC Name]
3-{4-[({2-[(2-Methoxyphenyl)amino]-1,3-benzoxazol-6-yl}acetyl)amino]phenyl}-3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}propansäure [German] [ACD/IUPAC Name]
Acide 3-{4-[(2-{2-[(2-méthoxyphényl)amino]-1,3-benzoxazol-6-yl}acétyl)amino]phényl}-3-{[(5-méthyl-1,2-oxazol-3-yl)carbonyl]amino}propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 4-[[2-[2-[(2-methoxyphenyl)amino]-6-benzoxazolyl]acetyl]amino]-β-[[(5-methyl-3-isoxazolyl)carbonyl]amino]- [ACD/Index Name]

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: 1.682
Molar Refractivity: 153.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 1.63
ACD/BCF (pH 5.5): 4.69
ACD/KOC (pH 5.5): 41.78
ACD/LogD (pH 7.4): -0.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 169 Å2
Polarizability: 60.8±0.5 10-24cm3
Surface Tension: 66.3±3.0 dyne/cm
Molar Volume: 405.1±3.0 cm3

Click to predict properties on the Chemicalize site


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