2-cyano-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-0084 |
| Compound Name: | 2-cyano-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}-N~1~-[5-(1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 437.54 |
| Molecular Formula: | C21 H19 N5 O2 S2 |
| Smiles: | Cc1ccc(cc1)Sc1ccc(/C=C(/C#N)C(Nc2nnc(N3CCCC3)s2)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 5.73 |
| logD: | 5.57 |
| logSw: | -6.38 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 183.43 |
| InChI Key: | XWZFISRQHVSHTF-UHFFFAOYSA-N |