ChemSpider 2D Image | MFCD01163051 | C29H33N3O5S

MFCD01163051

  • Molecular FormulaC29H33N3O5S
  • Average mass535.654 Da
  • Monoisotopic mass535.214111 Da
  • ChemSpider ID4686782

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-[4-(Diéthylamino)benzylidène]-5-(3,4-diméthoxyphényl)-7-méthyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate d'éthyle [French] [ACD/IUPAC Name]
328264-57-9 [RN]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxylic acid, 2-[[4-(diethylamino)phenyl]methylene]-5-(3,4-dimethoxyphenyl)-2,3-dihydro-7-methyl-3-oxo-, ethyl ester, (2E)- [ACD/Index Name]
Ethyl (2E)-2-[4-(diethylamino)benzylidene]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate [ACD/IUPAC Name]
Ethyl-(2E)-2-[4-(diethylamino)benzyliden]-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxylat [German] [ACD/IUPAC Name]
MFCD01163051
ethyl (2E)-2-{[4-(diethylamino)phenyl]methylidene}-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Ethyl 2-(4-(diethylamino)benzylidene)-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate
ethyl 2-{[4-(diethylamino)phenyl]methylene}-5-(3,4-dimethoxyphenyl)-7-methyl-3-oxo-4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidine-6-carboxylate
ETHYL-(2E)-2-[4-(DIETHYLAMINO)BENZYLIDENE]-5-(3,4-DIMETHOXYPHENYL)-7-METHYL-3-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE

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

BAS 00781051 [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: 661.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 353.7±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 149.5±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 6.85
ACD/LogD (pH 5.5): 5.11
ACD/BCF (pH 5.5): 4239.98
ACD/KOC (pH 5.5): 12802.99
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5420.13
ACD/KOC (pH 7.4): 16366.56
Polar Surface Area: 106 Å2
Polarizability: 59.3±0.5 10-24cm3
Surface Tension: 43.6±7.0 dyne/cm
Molar Volume: 434.3±7.0 cm3

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