ChemSpider 2D Image | Methyl 4-[(Z)-(6-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene)amino]benzoate | C27H33N3O6S

Methyl 4-[(Z)-(6-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene)amino]benzoate

  • Molecular FormulaC27H33N3O6S
  • Average mass527.632 Da
  • Monoisotopic mass527.208984 Da
  • ChemSpider ID2745947

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(Z)-(6-{[2-(3,4-Diéthoxyphényl)éthyl]carbamoyl}-3-éthyl-4-oxo-1,3-thiazinan-2-ylidène)amino]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 4-[[(2Z)-6-[[[2-(3,4-diethoxyphenyl)ethyl]amino]carbonyl]-3-ethyltetrahydro-4-oxo-2H-1,3-thiazin-2-ylidene]amino]-, methyl ester [ACD/Index Name]
Methyl 4-[(Z)-(6-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene)amino]benzoate [ACD/IUPAC Name]
Methyl-4-[(Z)-(6-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}-3-ethyl-4-oxo-1,3-thiazinan-2-yliden)amino]benzoat [German] [ACD/IUPAC Name]
4-{6-[2-(3,4-Diethoxy-phenyl)-ethylcarbamoyl]-3-ethyl-4-oxo-[1,3]thiazinan-2-ylideneamino}-benzoic acid methyl ester
methyl 4-[(6-{N-[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}-3-ethyl-4-oxo-1,3-thiazaperhydroin-2-ylidene)azamethyl]benzoate
methyl 4-{[(2Z)-6-{[2-(3,4-diethoxyphenyl)ethyl]carbamoyl}-3-ethyl-4-oxo-1,3-thiazinan-2-ylidene]amino}benzoate

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

A2734/0116115 [DBID]
ChemDiv1_018327 [DBID]

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: 1.591
Molar Refractivity: 143.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 3.56
ACD/LogD (pH 5.5): 3.35
ACD/BCF (pH 5.5): 207.21
ACD/KOC (pH 5.5): 1583.80
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 207.21
ACD/KOC (pH 7.4): 1583.80
Polar Surface Area: 132 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 45.5±7.0 dyne/cm
Molar Volume: 423.7±7.0 cm3

Click to predict properties on the Chemicalize site


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