ChemSpider 2D Image | (1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)-1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3-YL)AMINO]ACETYL}PENTYLCARBAMATE | C26H32F3N5O7

(1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)-1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3-YL)AMINO]ACETYL}PENTYLCARBAMATE

  • Molecular FormulaC26H32F3N5O7
  • Average mass583.557 Da
  • Monoisotopic mass583.225403 Da
  • ChemSpider ID4449864

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)-1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3-YL)AMINO]ACETYL}PENTYLCARBAMATE
(2R)-3,3-Dimethyl-1-{5-[4-(trifluormethyl)phenyl]-1,3,4-oxadiazol-2-yl}-2-butanyl-{(3S)-1,2-dioxo-1-[(2-oxo-1,3-oxazolidin-3-yl)amino]-3-heptanyl}carbamat [German] [ACD/IUPAC Name]
(2R)-3,3-Dimethyl-1-{5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}-2-butanyl {(3S)-1,2-dioxo-1-[(2-oxo-1,3-oxazolidin-3-yl)amino]-3-heptanyl}carbamate [ACD/IUPAC Name]
{(3S)-1,2-Dioxo-1-[(2-oxo-1,3-oxazolidin-3-yl)amino]-3-heptanyl}carbamate de (2R)-3,3-diméthyl-1-{5-[4-(trifluorométhyl)phényl]-1,3,4-oxadiazol-2-yl}-2-butanyle [French] [ACD/IUPAC Name]
Carbamic acid, N-[(1S)-1-[1,2-dioxo-2-[(2-oxo-3-oxazolidinyl)amino]ethyl]pentyl]-, (1R)-2,2-dimethyl-1-[[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]methyl]propyl ester [ACD/Index Name]
3FC
CHEMBL365822

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: 1.549
Molar Refractivity: 136.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 2.77
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 147.88
ACD/KOC (pH 5.5): 1243.42
ACD/LogD (pH 7.4): 3.11
ACD/BCF (pH 7.4): 130.89
ACD/KOC (pH 7.4): 1100.58
Polar Surface Area: 153 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 428.5±5.0 cm3

Click to predict properties on the Chemicalize site


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