3-[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0710 |
| Compound Name: | 3-[1-(3-chloro-4-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 482.99 |
| Molecular Formula: | C23 H23 Cl N6 O2 S |
| Smiles: | Cc1cc(/C=C(/C#N)C(Nc2nnc(N3CCCC3)s2)=O)c(C)n1c1ccc(c(c1)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 4.61 |
| logD: | 4.58 |
| logSw: | -5.76 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 142.17 |
| InChI Key: | YBSDERLFNAIZMU-UHFFFAOYSA-N |