ethyl 1-ethyl-4-(2-methylphenyl)-6-[(3-methyl-4-{[4-(trifluoromethyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-4-(2-methylphenyl)-6-[(3-methyl-4-{[4-(trifluoromethyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 1-ethyl-4-(2-methylphenyl)-6-[(3-methyl-4-{[4-(trifluoromethyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V012-2451 |
| Compound Name: | ethyl 1-ethyl-4-(2-methylphenyl)-6-[(3-methyl-4-{[4-(trifluoromethyl)phenyl]carbamoyl}piperazin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 587.64 |
| Molecular Formula: | C30 H36 F3 N5 O4 |
| Salt: | not_available |
| Smiles: | CCN1C(CN2CCN(C(C)C2)C(Nc2ccc(cc2)C(F)(F)F)=O)=C(C(c2ccccc2C)NC1=O)C(=O)OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.007 |
| logD: | 3.3626 |
| logSw: | -4.3888 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.977 |
| InChI Key: | HUOWTKQRCNUCDW-UHFFFAOYSA-N |