3-[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
3-[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-3538 |
| Compound Name: | 3-[1-(3-chloro-4-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 385.83 |
| Molecular Formula: | C17 H12 Cl N5 O2 S |
| Smiles: | COc1ccc(cc1[Cl])n1cccc1/C=C(/C#N)C(Nc1nncs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.31 |
| logD: | 2.46 |
| logSw: | -3.93 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 147.49 |
| InChI Key: | DQPWLUHMQDWQLO-UHFFFAOYSA-N |