3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C639-0465 |
| Compound Name: | 3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 491.05 |
| Molecular Formula: | C21 H19 Cl N4 O2 S3 |
| Smiles: | CC(C)CSc1nc(NC(C(=C/c2ccc(o2)SCc2ccc(cc2)[Cl])\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 6.66 |
| logD: | 5.97 |
| logSw: | -7.11 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 212.4 |
| InChI Key: | YVSRBQUCSCTIKB-UHFFFAOYSA-N |