N-{[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]carbamothioyl}adamantane-1-carboxamide
Chemical Structure Depiction of
N-{[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]carbamothioyl}adamantane-1-carboxamide
N-{[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]carbamothioyl}adamantane-1-carboxamide
Compound characteristics
| Compound ID: | K415-0367 |
| Compound Name: | N-{[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]carbamothioyl}adamantane-1-carboxamide |
| Molecular Weight: | 457.6 |
| Molecular Formula: | C26 H27 N5 O S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)C(NC(Nc1ccc(cc1)n1c(cnn1)c1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3532 |
| logD: | 6.353 |
| logSw: | -5.9228 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.257 |
| InChI Key: | LKUTYOVNTPHKJP-UHFFFAOYSA-N |