2-cyano-3-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0869 |
| Compound Name: | 2-cyano-3-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 500.55 |
| Molecular Formula: | C21 H20 N6 O5 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2cc(C)n(c3cc(ccc3C)[N+]([O-])=O)c2C)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.71 |
| logD: | 2.05 |
| logSw: | -4.72 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 271.39 |
| InChI Key: | PTFVVMGDGSIVJM-UHFFFAOYSA-N |