ChemSpider 2D Image | Ethyl 4-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-{[4-(hexyloxy)phenyl]carbamoyl}-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate | C34H37N3O7S

Ethyl 4-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-{[4-(hexyloxy)phenyl]carbamoyl}-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate

  • Molecular FormulaC34H37N3O7S
  • Average mass631.739 Da
  • Monoisotopic mass631.235229 Da
  • ChemSpider ID3363419

  • Double-bond stereo - Double-bond stereo

More details:

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

4-{(Z)-[3-(1,3-Benzodioxol-5-ylméthyl)-6-{[4-(hexyloxy)phényl]carbamoyl}-4-oxo-1,3-thiazinan-2-ylidène]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-6-[[[4-(hexyloxy)phenyl]amino]carbonyl]tetrahydro-4-oxo-2H-1,3-thiazin-2-ylidene]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-{[4-(hexyloxy)phenyl]carbamoyl}-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate [ACD/IUPAC Name]
Ethyl-4-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-6-{[4-(hexyloxy)phenyl]carbamoyl}-4-oxo-1,3-thiazinan-2-yliden]amino}benzoat [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.625
Molar Refractivity: 172.1±0.5 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 7.03
ACD/LogD (pH 5.5): 5.81
ACD/BCF (pH 5.5): 15384.56
ACD/KOC (pH 5.5): 34569.91
ACD/LogD (pH 7.4): 5.81
ACD/BCF (pH 7.4): 15384.95
ACD/KOC (pH 7.4): 34570.78
Polar Surface Area: 141 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 487.0±7.0 cm3

Click to predict properties on the Chemicalize site


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