ethyl 6-{[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V020-1617 |
| Compound Name: | ethyl 6-{[4-(2H-1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 588.58 |
| Molecular Formula: | C29 H31 F3 N4 O6 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCN(CC2)C(c2ccc3c(c2)OCO3)=O)=C(C(c2ccccc2C(F)(F)F)NC1=O)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5889 |
| logD: | 3.1434 |
| logSw: | -3.6832 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.053 |
| InChI Key: | UCCAKAZPTLJJGK-VWLOTQADSA-N |