2-cyano-3-[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C370-5268 |
| Compound Name: | 2-cyano-3-[1-(4-ethoxyphenyl)-1H-pyrrol-2-yl]-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | CCOc1ccc(cc1)n1cccc1/C=C(/C#N)C(Nc1nnc(C(C)C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8 |
| logD: | 2.99 |
| logSw: | -5.39 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 146.62 |
| InChI Key: | HKDNOIRYVVUQOH-UHFFFAOYSA-N |