ChemSpider 2D Image | Methyl (1S,3R)-3-{[5-(2,4-dihydroxy-5-isopropylphenyl)-3-(ethylcarbamoyl)-1,2-oxazol-4-yl]carbamoyl}cyclopentanecarboxylate | C23H29N3O7

Methyl (1S,3R)-3-{[5-(2,4-dihydroxy-5-isopropylphenyl)-3-(ethylcarbamoyl)-1,2-oxazol-4-yl]carbamoyl}cyclopentanecarboxylate

  • Molecular FormulaC23H29N3O7
  • Average mass459.492 Da
  • Monoisotopic mass459.200562 Da
  • ChemSpider ID28487394

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,3R)-3-{[5-(2,4-Dihydroxy-5-isopropylphényl)-3-(éthylcarbamoyl)-1,2-oxazol-4-yl]carbamoyl}cyclopentanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 3-[[[5-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-3-[(ethylamino)carbonyl]-4-isoxazolyl]amino]carbonyl]-, methyl ester, (1S,3R)- [ACD/Index Name]
Methyl (1S,3R)-3-{[5-(2,4-dihydroxy-5-isopropylphenyl)-3-(ethylcarbamoyl)-1,2-oxazol-4-yl]carbamoyl}cyclopentanecarboxylate [ACD/IUPAC Name]
Methyl-(1S,3R)-3-{[5-(2,4-dihydroxy-5-isopropylphenyl)-3-(ethylcarbamoyl)-1,2-oxazol-4-yl]carbamoyl}cyclopentancarboxylat [German] [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: 680.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 365.2±31.5 °C
Index of Refraction: 1.595
Molar Refractivity: 118.9±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 0.96
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.13
ACD/KOC (pH 5.5): 127.22
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 4.59
ACD/KOC (pH 7.4): 95.24
Polar Surface Area: 151 Å2
Polarizability: 47.2±0.5 10-24cm3
Surface Tension: 59.2±3.0 dyne/cm
Molar Volume: 350.0±3.0 cm3

Click to predict properties on the Chemicalize site


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