ChemSpider 2D Image | [1-({[4-(4-Methylphenyl)-1,3-thiazol-2-yl]oxy}methyl)cyclobutyl]methyl [(3S)-1,2-dioxo-1-{[(1R)-1-phenylethyl]amino}-3-heptanyl]carbamate | C32H39N3O5S

[1-({[4-(4-Methylphenyl)-1,3-thiazol-2-yl]oxy}methyl)cyclobutyl]methyl [(3S)-1,2-dioxo-1-{[(1R)-1-phenylethyl]amino}-3-heptanyl]carbamate

  • Molecular FormulaC32H39N3O5S
  • Average mass577.734 Da
  • Monoisotopic mass577.261047 Da
  • ChemSpider ID9505608

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(3S)-1,2-Dioxo-1-{[(1R)-1-phényléthyl]amino}-3-heptanyl]carbamate de [1-({[4-(4-méthylphényl)-1,3-thiazol-2-yl]oxy}méthyl)cyclobutyl]méthyle [French] [ACD/IUPAC Name]
[1-({[4-(4-Methylphenyl)-1,3-thiazol-2-yl]oxy}methyl)cyclobutyl]methyl [(3S)-1,2-dioxo-1-{[(1R)-1-phenylethyl]amino}-3-heptanyl]carbamate [ACD/IUPAC Name]
[1-({[4-(4-methylphenyl)-1,3-thiazol-2-yl]oxy}methyl)cyclobutyl]methyl [(3S)-1,2-dioxo-1-{[(1R)-1-phenylethyl]amino}heptan-3-yl]carbamate
[1-({[4-(4-Methylphenyl)-1,3-thiazol-2-yl]oxy}methyl)cyclobutyl]methyl-[(3S)-1,2-dioxo-1-{[(1R)-1-phenylethyl]amino}-3-heptanyl]carbamat [German] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-[1,2-dioxo-2-[[(1R)-1-phenylethyl]amino]ethyl]pentyl]-, [1-[[[4-(4-methylphenyl)-2-thiazolyl]oxy]methyl]cyclobutyl]methyl ester [ACD/Index Name]
[1-(1-Phenyl-ethylaminooxalyl)-pentyl]-carbamic acid 1-(4-p-tolyl-thiazol-2-yloxymethyl)-cyclobutylmethyl ester
CHEMBL362766
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL362766/

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.570
Molar Refractivity: 159.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.20
ACD/LogD (pH 5.5): 5.89
ACD/BCF (pH 5.5): 17554.16
ACD/KOC (pH 5.5): 37972.84
ACD/LogD (pH 7.4): 5.89
ACD/BCF (pH 7.4): 17570.53
ACD/KOC (pH 7.4): 38008.25
Polar Surface Area: 135 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 486.4±3.0 cm3

Click to predict properties on the Chemicalize site


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