3-[1-(4-chloro-3-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[1-(4-chloro-3-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[1-(4-chloro-3-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-0860 |
| Compound Name: | 3-[1-(4-chloro-3-nitrophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 520.97 |
| Molecular Formula: | C20 H17 Cl N6 O5 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2cc(C)n(c3ccc(c(c3)[N+]([O-])=O)[Cl])c2C)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.62 |
| logD: | 1.96 |
| logSw: | -4.52 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 276.22 |
| InChI Key: | BJMAYZGNWXVHHK-UHFFFAOYSA-N |