2-cyano-3-[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-1068 |
| Compound Name: | 2-cyano-3-[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 487.57 |
| Molecular Formula: | C22 H22 F N5 O3 S2 |
| Smiles: | CC(C)CS(c1nc(NC(C(=C/c2cc(C)n(c3cccc(c3)F)c2C)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.27 |
| logD: | 2.61 |
| logSw: | -5.12 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 195.6 |
| InChI Key: | NYPOHSZCJMIKEF-UHFFFAOYSA-N |