N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
Chemical Structure Depiction of
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
Compound characteristics
| Compound ID: | E920-0187 |
| Compound Name: | N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide |
| Molecular Weight: | 416.95 |
| Molecular Formula: | C22 H29 Cl N4 O2 |
| Smiles: | C1CCc2c(C(NCCCN3CCN(CC3)c3cccc(c3)[Cl])=O)noc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.4328 |
| logD: | 2.8889 |
| logSw: | -3.8158 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.467 |
| InChI Key: | KJZXYQQPCGQRKW-UHFFFAOYSA-N |