3-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0157 |
| Compound Name: | 3-[4-(benzyloxy)-3-chloro-5-methoxyphenyl]-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 495.99 |
| Molecular Formula: | C24 H22 Cl N5 O3 S |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(N3CCCC3)s2)=O)cc(c1OCc1ccccc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.72 |
| logD: | 5.57 |
| logSw: | -6.69 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 144.44 |
| InChI Key: | OKKHSEOTKATVCH-UHFFFAOYSA-N |