N-({4-[5-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}carbamothioyl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-({4-[5-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}carbamothioyl)adamantane-1-carboxamide
N-({4-[5-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}carbamothioyl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | K415-0372 |
| Compound Name: | N-({4-[5-(4-methoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}carbamothioyl)adamantane-1-carboxamide |
| Molecular Weight: | 487.62 |
| Molecular Formula: | C27 H29 N5 O2 S |
| Smiles: | COc1ccc(cc1)c1cnnn1c1ccc(cc1)NC(NC(C12CC3CC(CC(C3)C2)C1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 6.4406 |
| logD: | 6.4404 |
| logSw: | -5.5848 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.801 |
| InChI Key: | GRDJBJDAYFFVJS-UHFFFAOYSA-N |