3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide
3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | Y508-7696 |
| Compound Name: | 3-(3-bromo-1H-1,2,4-triazol-1-yl)-N-(4,5-dihydro-1,3-thiazol-2-yl)adamantane-1-carboxamide |
| Molecular Weight: | 410.33 |
| Molecular Formula: | C16 H20 Br N5 O S |
| Smiles: | C1C2CC3(CC1CC(C2)(C3)n1cnc(n1)[Br])C(NC1=NCCS1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0996 |
| logD: | 3.0984 |
| logSw: | -3.313 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.108 |
| InChI Key: | CUWZEYUPVLWDLU-UHFFFAOYSA-N |