2-cyano-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-oxo-4H-chromen-3-yl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-oxo-4H-chromen-3-yl)acrylamide
2-cyano-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-oxo-4H-chromen-3-yl)acrylamide
Compound characteristics
| Compound ID: | C679-1998 |
| Compound Name: | 2-cyano-N~1~-{5-[(2-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-oxo-4H-chromen-3-yl)acrylamide |
| Molecular Weight: | 444.47 |
| Molecular Formula: | C23 H16 N4 O4 S |
| Smiles: | Cc1ccccc1OCc1nnc(NC(C(=C/C2=COc3ccccc3C2=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.13 |
| logD: | 0.43 |
| logSw: | -5 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 181.23 |
| InChI Key: | LJWAIQWPXUADCA-UHFFFAOYSA-N |