2-cyano-3-(4-methoxyphenyl)-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(4-methoxyphenyl)-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(4-methoxyphenyl)-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0147 |
| Compound Name: | 2-cyano-3-(4-methoxyphenyl)-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 355.42 |
| Molecular Formula: | C17 H17 N5 O2 S |
| Smiles: | COc1ccc(/C=C(/C#N)C(Nc2nnc(N3CCCC3)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.51 |
| logD: | 3.35 |
| logSw: | -4.5 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 156.01 |
| InChI Key: | IKQAYLIPOJKLGN-UHFFFAOYSA-N |