2-cyano-3-(2,5-dimethyl-1-phenyl-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-phenyl-1H-pyrrol-3-yl)-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0226 |
| Compound Name: | 2-cyano-3-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C22 H22 N6 O S |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2nnc(N3CCCC3)s2)=O)c(C)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.15 |
| logD: | 4.11 |
| logSw: | -4.76 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 134.57 |
| InChI Key: | RRCVBGITUSOQOR-UHFFFAOYSA-N |