N-(2-benzoylphenyl)-3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-(2-benzoylphenyl)-3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
N-(2-benzoylphenyl)-3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y509-3432 |
| Compound Name: | N-(2-benzoylphenyl)-3-(3-chloro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide |
| Molecular Weight: | 460.96 |
| Molecular Formula: | C26 H25 Cl N4 O2 |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cnc(n1)[Cl])C(Nc1ccccc1C(c1ccccc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3691 |
| logD: | 5.366 |
| logSw: | -6.0342 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.464 |
| InChI Key: | VRRIRPQHSSFCBJ-UHFFFAOYSA-N |