N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}adamantane-1-carboxamide
Chemical Structure Depiction of
N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}adamantane-1-carboxamide
N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}adamantane-1-carboxamide
Compound characteristics
| Compound ID: | K415-0271 |
| Compound Name: | N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}adamantane-1-carboxamide |
| Molecular Weight: | 456.63 |
| Molecular Formula: | C29 H36 N4 O |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C(Nc1ccc(cc1)n1c(cnn1)C12CC3CC(CC(C3)C2)C1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4821 |
| logD: | 7.482 |
| logSw: | -5.9544 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.381 |
| InChI Key: | IGMHOMOTGLJLRG-UHFFFAOYSA-N |