3-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0759 |
| Compound Name: | 3-{1-[2-(4-chloro-3-methylphenoxy)ethyl]-1H-pyrrol-2-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(ccc1[Cl])OCCn1cccc1/C=C(/C#N)C(Nc1nnc(N2CCCC2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.72 |
| logD: | 5.69 |
| logSw: | -6.47 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 143.11 |
| InChI Key: | URCJQOUUELNDAL-UHFFFAOYSA-N |