1-(azepan-1-yl)-2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
1-(azepan-1-yl)-2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | D489-0766 |
| Compound Name: | 1-(azepan-1-yl)-2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)ethan-1-one |
| Molecular Weight: | 435.59 |
| Molecular Formula: | C24 H29 N5 O S |
| Smiles: | CN(C)c1cccc(c1)c1nnc(n1c1ccccc1)SCC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7406 |
| logD: | 4.7398 |
| logSw: | -4.4778 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.241 |
| InChI Key: | UTUDYORHQKLDGR-UHFFFAOYSA-N |