2-{[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-3-phenyl-N-[(pyridin-3-yl)methyl]prop-2-enamide
Chemical Structure Depiction of
2-{[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-3-phenyl-N-[(pyridin-3-yl)methyl]prop-2-enamide
2-{[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-3-phenyl-N-[(pyridin-3-yl)methyl]prop-2-enamide
Compound characteristics
| Compound ID: | 8020-7927 |
| Compound Name: | 2-{[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}-3-phenyl-N-[(pyridin-3-yl)methyl]prop-2-enamide |
| Molecular Weight: | 427.53 |
| Molecular Formula: | C24 H21 N5 O S |
| Smiles: | Cc1ccc(cc1)c1nc(n[nH]1)SC(=C\c1ccccc1)\C(NCc1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5716 |
| logD: | 4.5578 |
| logSw: | -4.2287 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.405 |
| InChI Key: | KNDIUTVZBHWFJR-UHFFFAOYSA-N |