2-cyano-3-{1-[3-(3,5-dimethylphenoxy)propyl]-1H-pyrrol-2-yl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{1-[3-(3,5-dimethylphenoxy)propyl]-1H-pyrrol-2-yl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{1-[3-(3,5-dimethylphenoxy)propyl]-1H-pyrrol-2-yl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0786 |
| Compound Name: | 2-cyano-3-{1-[3-(3,5-dimethylphenoxy)propyl]-1H-pyrrol-2-yl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 476.6 |
| Molecular Formula: | C25 H28 N6 O2 S |
| Smiles: | Cc1cc(C)cc(c1)OCCCn1cccc1/C=C(/C#N)C(Nc1nnc(N2CCCC2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.67 |
| logD: | 5.64 |
| logSw: | -6.34 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 151.37 |
| InChI Key: | MUYBUCHJBNPGLN-UHFFFAOYSA-N |