2-cyano-3-(4-oxo-4H-chromen-3-yl)-N~1~-{5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acrylamide
Chemical Structure Depiction of
2-cyano-3-(4-oxo-4H-chromen-3-yl)-N~1~-{5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acrylamide
2-cyano-3-(4-oxo-4H-chromen-3-yl)-N~1~-{5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acrylamide
Compound characteristics
| Compound ID: | C679-2003 |
| Compound Name: | 2-cyano-3-(4-oxo-4H-chromen-3-yl)-N~1~-{5-[(2-phenoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acrylamide |
| Molecular Weight: | 476.53 |
| Molecular Formula: | C23 H16 N4 O4 S2 |
| Smiles: | C(CSc1nnc(NC(C(=C/C2=COc3ccccc3C2=O)\C#N)=O)s1)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.49 |
| logD: | 2.42 |
| logSw: | -4.83 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 218.28 |
| InChI Key: | ZWJZHBGANNZYGO-UHFFFAOYSA-N |