ChemSpider 2D Image | (E)-S-methyl 5-(1-(3,7-dimethyl-2-oxo-2,3-dihydrobenzo[D]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate | C27H29N3O5S

(E)-S-methyl 5-(1-(3,7-dimethyl-2-oxo-2,3-dihydrobenzo[D]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate

  • Molecular FormulaC27H29N3O5S
  • Average mass507.601 Da
  • Monoisotopic mass507.182800 Da
  • ChemSpider ID13166953

  • Double-bond stereo - Double-bond stereo

More details:

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

(E)-S-methyl 5-(1-(3,7-dimethyl-2-oxo-2,3-dihydrobenzo[D]oxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-enyl)-2-methoxy-3-methylbenzothioate
5-[(1E)-1-(3,7-Diméthyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(5-méthyl-1,3,4-oxadiazol-2-yl)-1-pentén-1-yl]-2-méthoxy-3-méthylbenzènecarbothioate de S-méthyle [French] [ACD/IUPAC Name]
Benzenecarbothioic acid, 5-[(1E)-1-(2,3-dihydro-3,7-dimethyl-2-oxo-5-benzoxazolyl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-penten-1-yl]-2-methoxy-3-methyl-, S-methyl ester [ACD/Index Name]
S-Methyl 5-[(1E)-1-(3,7-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-penten-1-yl]-2-methoxy-3-methylbenzenecarbothioate [ACD/IUPAC Name]
S-Methyl-5-[(1E)-1-(3,7-dimethyl-2-oxo-2,3-dihydro-1,3-benzoxazol-5-yl)-5-(5-methyl-1,3,4-oxadiazol-2-yl)-1-penten-1-yl]-2-methoxy-3-methylbenzolcarbothioat [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: 693.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 101.6±3.0 kJ/mol
Flash Point: 373.1±34.3 °C
Index of Refraction: 1.604
Molar Refractivity: 139.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.72
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 3850.57
ACD/KOC (pH 5.5): 12826.62
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3850.58
ACD/KOC (pH 7.4): 12826.65
Polar Surface Area: 120 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 405.8±3.0 cm3

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