N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y600-1417 |
| Compound Name: | N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 534.66 |
| Molecular Formula: | C29 H22 N6 O S2 |
| Smiles: | Cc1ccc2c(c1)sc(c1ccc(cc1)NC(CSc1nnc(c3cccnc3)n1c1ccccc1)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.5983 |
| logD: | 5.5941 |
| logSw: | -5.2256 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.829 |
| InChI Key: | LVJBWDYGGOHGSV-UHFFFAOYSA-N |