2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C508-0469 |
| Compound Name: | 2-cyano-3-[5-(cyclohexylsulfanyl)-2-furyl]-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 402.54 |
| Molecular Formula: | C19 H22 N4 O2 S2 |
| Smiles: | CC(C)c1nnc(NC(C(=C/c2ccc(o2)SC2CCCCC2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.81 |
| logD: | 3.88 |
| logSw: | -6.69 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 195.49 |
| InChI Key: | PIAPBFCKOAAXEY-UHFFFAOYSA-N |