ethyl 6-{[4-(2H-1,3-benzodioxole-5-carbonyl)-3-methylpiperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(2H-1,3-benzodioxole-5-carbonyl)-3-methylpiperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(2H-1,3-benzodioxole-5-carbonyl)-3-methylpiperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V001-5937 |
| Compound Name: | ethyl 6-{[4-(2H-1,3-benzodioxole-5-carbonyl)-3-methylpiperazin-1-yl]methyl}-1-ethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 602.61 |
| Molecular Formula: | C30 H33 F3 N4 O6 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCN(C(C)C2)C(c2ccc3c(c2)OCO3)=O)=C(C(c2ccc(cc2)C(F)(F)F)NC1=O)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1523 |
| logD: | 3.7224 |
| logSw: | -4.1437 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.272 |
| InChI Key: | FGGQXLVBYFVXQE-UHFFFAOYSA-N |