2-cyano-3-{5-[(2-furylmethyl)sulfanyl]-2-furyl}-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{5-[(2-furylmethyl)sulfanyl]-2-furyl}-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-{5-[(2-furylmethyl)sulfanyl]-2-furyl}-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C508-0607 |
| Compound Name: | 2-cyano-3-{5-[(2-furylmethyl)sulfanyl]-2-furyl}-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 478.57 |
| Molecular Formula: | C19 H18 N4 O5 S3 |
| Smiles: | CC(C)CS(c1nc(NC(C(=C/c2ccc(o2)SCc2ccco2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.58 |
| logD: | 2.21 |
| logSw: | -4.94 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 254.13 |
| InChI Key: | IEEIOOHTPSHWAM-UHFFFAOYSA-N |