ChemSpider 2D Image | (2Z)-6-Acetyl-2-[4-(diethylamino)-2-methoxybenzylidene]-5-(2,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one | C29H33N3O5S

(2Z)-6-Acetyl-2-[4-(diethylamino)-2-methoxybenzylidene]-5-(2,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one

  • Molecular FormulaC29H33N3O5S
  • Average mass535.654 Da
  • Monoisotopic mass535.214111 Da
  • ChemSpider ID4505177

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-6-Acetyl-2-[4-(diethylamino)-2-methoxybenzyliden]-5-(2,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-on [German] [ACD/IUPAC Name]
(2Z)-6-Acetyl-2-[4-(diethylamino)-2-methoxybenzylidene]-5-(2,4-dimethoxyphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one [ACD/IUPAC Name]
(2Z)-6-Acétyl-2-[4-(diéthylamino)-2-méthoxybenzylidène]-5-(2,4-diméthoxyphényl)-7-méthyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-3(2H)-one [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidin-3(2H)-one, 6-acetyl-2-[[4-(diethylamino)-2-methoxyphenyl]methylene]-5-(2,4-dimethoxyphenyl)-7-methyl-, (2Z)- [ACD/Index Name]
(2Z)-6-ACETYL-2-[[4-(DIETHYLAMINO)-2-METHOXYPHENYL]METHYLIDENE]-5-(2,4-DIMETHOXYPHENYL)-7-METHYL-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDIN-3-ONE

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

BIM-0013820.P001 [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: 682.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.1±3.0 kJ/mol
Flash Point: 366.5±34.3 °C
Index of Refraction: 1.605
Molar Refractivity: 149.4±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 6.28
ACD/LogD (pH 5.5): 4.80
ACD/BCF (pH 5.5): 2532.63
ACD/KOC (pH 5.5): 9231.35
ACD/LogD (pH 7.4): 4.84
ACD/BCF (pH 7.4): 2801.17
ACD/KOC (pH 7.4): 10210.19
Polar Surface Area: 106 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 42.8±7.0 dyne/cm
Molar Volume: 433.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement