3-{5-[(4-chlorophenyl)sulfanyl]-2-furyl}-2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{5-[(4-chlorophenyl)sulfanyl]-2-furyl}-2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{5-[(4-chlorophenyl)sulfanyl]-2-furyl}-2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 3797-0438 |
| Compound Name: | 3-{5-[(4-chlorophenyl)sulfanyl]-2-furyl}-2-cyano-N~1~-(5-heptyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 487.04 |
| Molecular Formula: | C23 H23 Cl N4 O2 S2 |
| Smiles: | CCCCCCCc1nnc(NC(C(=C/c2ccc(o2)Sc2ccc(cc2)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 8.14 |
| logD: | 6.19 |
| logSw: | -7.8 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 179.4 |
| InChI Key: | YORIOFOKCHNVBG-UHFFFAOYSA-N |