2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0076 |
| Compound Name: | 2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 409.48 |
| Molecular Formula: | C21 H20 F N5 O S |
| Smiles: | CC(C)c1nnc(NC(C(=C/c2cc(C)n(c3ccc(cc3)F)c2C)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.4 |
| logD: | 3.16 |
| logSw: | -5.17 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 135.91 |
| InChI Key: | YZEQKINCTOULJQ-UHFFFAOYSA-N |