3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-(4-methylphenyl)adamantane-1-carboxamide
Chemical Structure Depiction of
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-(4-methylphenyl)adamantane-1-carboxamide
3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-(4-methylphenyl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y508-1997 |
| Compound Name: | 3-(3-chloro-1H-1,2,4-triazol-1-yl)-N-(4-methylphenyl)adamantane-1-carboxamide |
| Molecular Weight: | 370.88 |
| Molecular Formula: | C20 H23 Cl N4 O |
| Smiles: | Cc1ccc(cc1)NC(C12CC3CC(C1)CC(C3)(C2)n1cnc(n1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7281 |
| logD: | 4.728 |
| logSw: | -4.7396 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.695 |
| InChI Key: | JAEFIHCCNDLHRL-UHFFFAOYSA-N |