2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0870 |
| Compound Name: | 2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-[1-(3-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]acrylamide |
| Molecular Weight: | 471.56 |
| Molecular Formula: | C21 H21 N5 O4 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2cc(C)n(c3cccc(c3)OC)c2C)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5 |
| logD: | 1.84 |
| logSw: | -3.91 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 212.12 |
| InChI Key: | KSBBYPFCEVKYMR-UHFFFAOYSA-N |