ChemSpider 2D Image | 3-(3,4-Dimethylphenyl)-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione | C29H28N4O3S

3-(3,4-Dimethylphenyl)-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione

  • Molecular FormulaC29H28N4O3S
  • Average mass512.623 Da
  • Monoisotopic mass512.188232 Da
  • ChemSpider ID18392738

More details:

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

2H-Cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione, 3-(3,4-dimethylphenyl)-1,5,6,7,8,9-hexahydro-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]- [ACD/Index Name]
3-(3,4-Dimethylphenyl)-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2,4(3H)-dion [German] [ACD/IUPAC Name]
3-(3,4-Dimethylphenyl)-1-[(6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione [ACD/IUPAC Name]
3-(3,4-Diméthylphényl)-1-[(6-méthyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)méthyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thiéno[2,3-d]pyrimidine-2,4(3H)-dione [French] [ACD/IUPAC Name]
3-(3,4-dimethylphenyl)-1-((6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione
4-(3,4-dimethylphenyl)-6-({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione
865655-10-3 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 731.9±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.8±3.0 kJ/mol
Flash Point: 396.5±35.7 °C
Index of Refraction: 1.721
Molar Refractivity: 145.6±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 5.84
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 914.83
ACD/KOC (pH 5.5): 4568.20
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 926.47
ACD/KOC (pH 7.4): 4626.36
Polar Surface Area: 102 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 56.7±7.0 dyne/cm
Molar Volume: 368.5±7.0 cm3

Click to predict properties on the Chemicalize site


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