3-bromo-N-{4-[(pyridin-4-yl)methyl]phenyl}adamantane-1-carboxamide
Chemical Structure Depiction of
3-bromo-N-{4-[(pyridin-4-yl)methyl]phenyl}adamantane-1-carboxamide
3-bromo-N-{4-[(pyridin-4-yl)methyl]phenyl}adamantane-1-carboxamide
Compound characteristics
| Compound ID: | 8018-0330 |
| Compound Name: | 3-bromo-N-{4-[(pyridin-4-yl)methyl]phenyl}adamantane-1-carboxamide |
| Molecular Weight: | 425.37 |
| Molecular Formula: | C23 H25 Br N2 O |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)[Br])C(Nc1ccc(Cc2ccncc2)cc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2038 |
| logD: | 5.2037 |
| logSw: | -5.2499 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.52 |
| InChI Key: | NMYYXEBZXDEMHM-UHFFFAOYSA-N |