N-(6-{4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}pyridin-3-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-(6-{4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}pyridin-3-yl)adamantane-1-carboxamide
N-(6-{4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}pyridin-3-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | V029-5777 |
| Compound Name: | N-(6-{4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl}pyridin-3-yl)adamantane-1-carboxamide |
| Molecular Weight: | 512.58 |
| Molecular Formula: | C28 H31 F3 N4 O2 |
| Salt: | not_available |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C(Nc1ccc(nc1)N1CCN(CC1)C(c1ccc(cc1)C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.23 |
| logD: | 6.2296 |
| logSw: | -5.9908 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.873 |
| InChI Key: | LLBFRJIHPILAMM-UHFFFAOYSA-N |