2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
Compound characteristics
| Compound ID: | C146-1309 |
| Compound Name: | 2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C20 H18 F N5 O S2 |
| Smiles: | CCSc1nc(NC(C(=C/c2cc(C)n(c3ccc(cc3)F)c2C)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.69 |
| logD: | 4.44 |
| logSw: | -5.28 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 165.86 |
| InChI Key: | MSPWDIYPWHVVBZ-UHFFFAOYSA-N |