N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}thiophene-2-carboxamide
Chemical Structure Depiction of
N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}thiophene-2-carboxamide
N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}thiophene-2-carboxamide
Compound characteristics
| Compound ID: | K415-0064 |
| Compound Name: | N-{4-[5-(adamantan-1-yl)-1H-1,2,3-triazol-1-yl]phenyl}thiophene-2-carboxamide |
| Molecular Weight: | 404.53 |
| Molecular Formula: | C23 H24 N4 O S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1cnnn1c1ccc(cc1)NC(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7083 |
| logD: | 5.7083 |
| logSw: | -5.6525 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.366 |
| InChI Key: | UZFQSOLQGPHTIO-UHFFFAOYSA-N |