2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one
Chemical Structure Depiction of
2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one
2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | D489-0759 |
| Compound Name: | 2-({5-[3-(dimethylamino)phenyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methylpiperidin-1-yl)ethan-1-one |
| Molecular Weight: | 435.59 |
| Molecular Formula: | C24 H29 N5 O S |
| Smiles: | CC1CCN(CC1)C(CSc1nnc(c2cccc(c2)N(C)C)n1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.575 |
| logD: | 4.5743 |
| logSw: | -4.3562 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.91 |
| InChI Key: | KCKPVZNMCZDMHS-UHFFFAOYSA-N |