2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0143 |
| Compound Name: | 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 371.42 |
| Molecular Formula: | C17 H17 N5 O3 S |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(N3CCCC3)s2)=O)ccc1O |
| Stereo: | ACHIRAL |
| logP: | 2.71 |
| logD: | 2.55 |
| logSw: | -3.63 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 192.14 |
| InChI Key: | TUCPUYKSXICGIV-UHFFFAOYSA-N |