ChemSpider 2D Image | Ethyl 4-{(Z)-[6-{[4-(hexyloxy)phenyl]carbamoyl}-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate | C34H39N3O6S

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

  • Molecular FormulaC34H39N3O6S
  • Average mass617.755 Da
  • Monoisotopic mass617.255981 Da
  • ChemSpider ID3408495
  • Double-bond stereo - Double-bond stereo


More details:






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

4-{(Z)-[6-{[4-(Hexyloxy)phényl]carbamoyl}-3-(4-méthoxybenzyl)-4-oxo-1,3-thiazinan-2-ylidène]amino}benzoate d'éthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(2Z)-6-[[[4-(hexyloxy)phenyl]amino]carbonyl]tetrahydro-3-[(4-methoxyphenyl)methyl]-4-oxo-2H-1,3-thiazin-2-ylidene]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-{(Z)-[6-{[4-(hexyloxy)phenyl]carbamoyl}-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate [ACD/IUPAC Name]
Ethyl-4-{(Z)-[6-{[4-(hexyloxy)phenyl]carbamoyl}-3-(4-methoxybenzyl)-4-oxo-1,3-thiazinan-2-yliden]amino}benzoat [German] [ACD/IUPAC Name]
ETHYL 4-[[6-[(4-HEXOXYPHENYL)CARBAMOYL]-3-[(4-METHOXYPHENYL)METHYL]-4-OXO-1,3-THIAZINAN-2-YLIDENE]AMINO]BENZOATE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 173.1±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 7.08
ACD/LogD (pH 5.5): 6.13
ACD/BCF (pH 5.5): 26861.11
ACD/KOC (pH 5.5): 51516.57
ACD/LogD (pH 7.4): 6.13
ACD/BCF (pH 7.4): 26861.78
ACD/KOC (pH 7.4): 51517.88
Polar Surface Area: 132 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 45.9±7.0 dyne/cm
Molar Volume: 508.2±7.0 cm3

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