N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[5-phenyl-4-(prop-2-en-1-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-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8012-4496 |
| Compound Name: | N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 497.64 |
| Molecular Formula: | C27 H23 N5 O S2 |
| Smiles: | Cc1ccc2c(c1)sc(c1ccc(cc1)NC(CSc1nnc(c3ccccc3)n1CC=C)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 6.349 |
| logD: | 6.349 |
| logSw: | -5.535 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.817 |
| InChI Key: | BYQQNBDKRJXLHR-UHFFFAOYSA-N |