2-cyano-3-{1-[3-(2-methylphenoxy)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-(2-methylphenoxy)propyl]-1H-pyrrol-2-yl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{1-[3-(2-methylphenoxy)propyl]-1H-pyrrol-2-yl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0800 |
| Compound Name: | 2-cyano-3-{1-[3-(2-methylphenoxy)propyl]-1H-pyrrol-2-yl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C24 H26 N6 O2 S |
| Smiles: | Cc1ccccc1OCCCn1cccc1/C=C(/C#N)C(Nc1nnc(N2CCCC2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2 |
| logD: | 5.16 |
| logSw: | -5.83 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 140.66 |
| InChI Key: | MGRDZGCRKLYPOX-UHFFFAOYSA-N |