2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide
2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide
Compound characteristics
| Compound ID: | C726-0146 |
| Compound Name: | 2-cyano-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)acrylamide |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C19 H21 N5 O4 S |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(N3CCCC3)s2)=O)cc(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.27 |
| logD: | 3.12 |
| logSw: | -4.07 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 171.92 |
| InChI Key: | CANIGQMVGUSDHL-UHFFFAOYSA-N |