ethyl 6-{[4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V001-7649 |
| Compound Name: | ethyl 6-{[4-(ethylcarbamoyl)-3-methylpiperazin-1-yl]methyl}-1-methyl-2-oxo-4-[2-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 511.54 |
| Molecular Formula: | C24 H32 F3 N5 O4 |
| Salt: | not_available |
| Smiles: | CCNC(N1CCN(CC1C)CC1=C(C(c2ccccc2C(F)(F)F)NC(N1C)=O)C(=O)OCC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.742 |
| logD: | 0.575 |
| logSw: | -3.2228 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.237 |
| InChI Key: | ISCHWWVUHNHYFB-UHFFFAOYSA-N |