2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
Compound characteristics
| Compound ID: | 4277-0060 |
| Compound Name: | 2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C20 H18 F N5 O S |
| Smiles: | CCc1nnc(NC(C(=C/c2cc(C)n(c3ccc(cc3)F)c2C)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.01 |
| logD: | 2.76 |
| logSw: | -4.77 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 138.25 |
| InChI Key: | YXPNZQLFWDTSBC-UHFFFAOYSA-N |