ChemSpider 2D Image | Ethyl 4-[(Z)-(6-{[4-(hexyloxy)phenyl]carbamoyl}-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinan-2-ylidene)amino]benzoate | C35H41N3O6S

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

  • Molecular FormulaC35H41N3O6S
  • Average mass631.781 Da
  • Monoisotopic mass631.271606 Da
  • ChemSpider ID2537121

  • 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-[2-(4-méthoxyphényl)éthyl]-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-[2-(4-methoxyphenyl)ethyl]-4-oxo-2H-1,3-thiazin-2-ylidene]amino]-, ethyl ester [ACD/Index Name]
Ethyl 4-[(Z)-(6-{[4-(hexyloxy)phenyl]carbamoyl}-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinan-2-ylidene)amino]benzoate [ACD/IUPAC Name]
Ethyl-4-[(Z)-(6-{[4-(hexyloxy)phenyl]carbamoyl}-3-[2-(4-methoxyphenyl)ethyl]-4-oxo-1,3-thiazinan-2-yliden)amino]benzoat [German] [ACD/IUPAC Name]
ETHYL 4-[[6-[(4-HEXOXYPHENYL)CARBAMOYL]-3-[2-(4-METHOXYPHENYL)ETHYL]-4-OXO-1,3-THIAZINAN-2-YLIDENE]AMINO]BENZOATE

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: 1.593
Molar Refractivity: 177.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 7.50
ACD/LogD (pH 5.5): 6.75
ACD/BCF (pH 5.5): 79734.13
ACD/KOC (pH 5.5): 112246.25
ACD/LogD (pH 7.4): 6.75
ACD/BCF (pH 7.4): 79735.88
ACD/KOC (pH 7.4): 112248.72
Polar Surface Area: 132 Å2
Polarizability: 70.4±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 524.2±7.0 cm3

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