N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
Chemical Structure Depiction of
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
Compound characteristics
| Compound ID: | 4272-0013 |
| Compound Name: | N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide |
| Molecular Weight: | 423.51 |
| Molecular Formula: | C22 H22 F N5 O S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2cc(C)n(c3ccc(cc3)F)c2C)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.99 |
| logD: | 3.74 |
| logSw: | -6.05 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 136.26 |
| InChI Key: | WQNOZCSVXOQVJP-UHFFFAOYSA-N |