N-{[4-(5-tert-butyl-1H-1,2,3-triazol-1-yl)phenyl]carbamothioyl}adamantane-1-carboxamide
Chemical Structure Depiction of
N-{[4-(5-tert-butyl-1H-1,2,3-triazol-1-yl)phenyl]carbamothioyl}adamantane-1-carboxamide
N-{[4-(5-tert-butyl-1H-1,2,3-triazol-1-yl)phenyl]carbamothioyl}adamantane-1-carboxamide
Compound characteristics
| Compound ID: | K415-0370 |
| Compound Name: | N-{[4-(5-tert-butyl-1H-1,2,3-triazol-1-yl)phenyl]carbamothioyl}adamantane-1-carboxamide |
| Molecular Weight: | 437.61 |
| Molecular Formula: | C24 H31 N5 O S |
| Smiles: | CC(C)(C)c1cnnn1c1ccc(cc1)NC(NC(C12CC3CC(CC(C3)C2)C1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 6.0545 |
| logD: | 6.0541 |
| logSw: | -5.3632 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.529 |
| InChI Key: | YGHUPAZPMDCUNA-UHFFFAOYSA-N |