ChemSpider 2D Image | (2E)-2-[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]-5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide | C30H31N5O3S

(2E)-2-[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]-5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

  • Molecular FormulaC30H31N5O3S
  • Average mass541.664 Da
  • Monoisotopic mass541.214783 Da
  • ChemSpider ID12529258

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylen]-5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-carboxamid [German] [ACD/IUPAC Name]
(2E)-2-[(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]-5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide [ACD/IUPAC Name]
(2E)-2-[(1-Éthyl-3,5-diméthyl-1H-pyrazol-4-yl)méthylène]-5-(4-méthoxyphényl)-7-méthyl-N-(2-méthylphényl)-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide [French] [ACD/IUPAC Name]
5H-Thiazolo[3,2-a]pyrimidine-6-carboxamide, 2-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methylene]-2,3-dihydro-5-(4-methoxyphenyl)-7-methyl-N-(2-methylphenyl)-3-oxo-, (2E)- [ACD/Index Name]
{2-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methylene]-5-(4-methoxyphenyl)-7-methyl-3-oxo(4,5-dihydro-1,3-thiazolidino[3,2-a]pyrimidin-6-yl)}-N-(2-methylphenyl)carboxamide
2-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-ylmethylene)-5-(4-methoxy-phenyl)-7-methyl-3-oxo-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid o-tolylamide

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.663
Molar Refractivity: 154.9±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3643.20
ACD/KOC (pH 5.5): 12328.07
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3643.45
ACD/KOC (pH 7.4): 12328.91
Polar Surface Area: 114 Å2
Polarizability: 61.4±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 418.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement