3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
3-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0187 |
| Compound Name: | 3-{4-[(2-chlorobenzyl)oxy]-3-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)ccc1OCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.14 |
| logD: | 4.98 |
| logSw: | -6.3 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 160.66 |
| InChI Key: | BEPBPJYFTIBDFX-UHFFFAOYSA-N |