3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C639-0510 |
| Compound Name: | 3-{5-[(4-chlorobenzyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 480.97 |
| Molecular Formula: | C18 H13 Cl N4 O4 S3 |
| Smiles: | CS(c1nc(NC(C(=C/c2ccc(o2)SCc2ccc(cc2)[Cl])\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8 |
| logD: | 1.43 |
| logSw: | -4.67 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 243.57 |
| InChI Key: | AOTNRYDGRXGBGR-UHFFFAOYSA-N |