2-chloro-5-fluoro-4-[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]benzonitrile
Chemical Structure Depiction of
2-chloro-5-fluoro-4-[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]benzonitrile
2-chloro-5-fluoro-4-[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]benzonitrile
Compound characteristics
| Compound ID: | 8016-9248 |
| Compound Name: | 2-chloro-5-fluoro-4-[4-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)piperazin-1-yl]benzonitrile |
| Molecular Weight: | 401.91 |
| Molecular Formula: | C22 H25 Cl F N3 O |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C(N1CCN(CC1)c1cc(c(C#N)cc1F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.9538 |
| logD: | 4.9538 |
| logSw: | -5.1476 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 36.936 |
| InChI Key: | YBFWYDGKIAVJFV-UHFFFAOYSA-N |