2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
Chemical Structure Depiction of
2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
Compound characteristics
| Compound ID: | 5742-0915 |
| Compound Name: | 2-{[4-ethyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide |
| Molecular Weight: | 486.62 |
| Molecular Formula: | C25 H22 N6 O S2 |
| Smiles: | CCn1c(c2cccnc2)nnc1SCC(Nc1ccc(cc1)c1nc2ccc(C)cc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7617 |
| logD: | 4.745 |
| logSw: | -4.2175 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.082 |
| InChI Key: | SOXSTRIEODURMP-UHFFFAOYSA-N |