2-cyano-3-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0726 |
| Compound Name: | 2-cyano-3-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-1H-pyrrol-3-yl]-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C23 H23 N7 O3 S |
| Smiles: | Cc1ccc(cc1n1c(C)cc(/C=C(/C#N)C(Nc2nnc(N3CCCC3)s2)=O)c1C)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.74 |
| logD: | 4.7 |
| logSw: | -5.88 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 220.07 |
| InChI Key: | RQKOTLLGMFJBDT-UHFFFAOYSA-N |