2-(4-benzylpiperazin-1-yl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
Chemical Structure Depiction of
2-(4-benzylpiperazin-1-yl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
2-(4-benzylpiperazin-1-yl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
Compound characteristics
| Compound ID: | C162-0165 |
| Compound Name: | 2-(4-benzylpiperazin-1-yl)-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine |
| Molecular Weight: | 390.45 |
| Molecular Formula: | C21 H25 F3 N4 |
| Smiles: | C1CCc2c(CC1)nc(nc2C(F)(F)F)N1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1396 |
| logD: | 5.0319 |
| logSw: | -5.2791 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 27.2524 |
| InChI Key: | PUPIFKLKOMVPNQ-UHFFFAOYSA-N |