N-({4-[5-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]phenyl}carbamothioyl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-({4-[5-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]phenyl}carbamothioyl)adamantane-1-carboxamide
N-({4-[5-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]phenyl}carbamothioyl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | K415-0375 |
| Compound Name: | N-({4-[5-(4-methylphenyl)-1H-1,2,3-triazol-1-yl]phenyl}carbamothioyl)adamantane-1-carboxamide |
| Molecular Weight: | 471.62 |
| Molecular Formula: | C27 H29 N5 O S |
| Smiles: | Cc1ccc(cc1)c1cnnn1c1ccc(cc1)NC(NC(C12CC3CC(CC(C3)C2)C1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 6.8816 |
| logD: | 6.8814 |
| logSw: | -5.5375 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.257 |
| InChI Key: | HPHYZOZFFQWQOU-UHFFFAOYSA-N |