2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0843 |
| Compound Name: | 2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C20 H18 F N5 O3 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2cc(C)n(c3ccccc3F)c2C)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.19 |
| logD: | 1.53 |
| logSw: | -4.26 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 185.13 |
| InChI Key: | MRQMBNYSLSCBLC-UHFFFAOYSA-N |