3-{5-[(4-chlorophenyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{5-[(4-chlorophenyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{5-[(4-chlorophenyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0522 |
| Compound Name: | 3-{5-[(4-chlorophenyl)sulfanyl]-2-furyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 480.97 |
| Molecular Formula: | C18 H13 Cl N4 O4 S3 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(o2)Sc2ccc(cc2)[Cl])\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.87 |
| logD: | 2.5 |
| logSw: | -5.81 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 233.8 |
| InChI Key: | NBUXJSVHYBLHJX-UHFFFAOYSA-N |