3-[1-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-pentyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[1-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-pentyl-1,3,4-thiadiazol-2-yl)acrylamide
3-[1-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-pentyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-3838 |
| Compound Name: | 3-[1-(5-chloro-2-methoxyphenyl)-1H-pyrrol-2-yl]-2-cyano-N~1~-(5-pentyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 455.96 |
| Molecular Formula: | C22 H22 Cl N5 O2 S |
| Smiles: | CCCCCc1nnc(NC(C(=C/c2cccn2c2cc(ccc2OC)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.94 |
| logD: | 4.1 |
| logSw: | -6.55 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 139.94 |
| InChI Key: | NEPYTEMNVBQCQA-UHFFFAOYSA-N |