3-{5-[(4-chlorophenyl)sulfanyl]-2-furyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-{5-[(4-chlorophenyl)sulfanyl]-2-furyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
3-{5-[(4-chlorophenyl)sulfanyl]-2-furyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | 4277-0226 |
| Compound Name: | 3-{5-[(4-chlorophenyl)sulfanyl]-2-furyl}-2-cyano-N~1~-(5-isobutyl-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 444.96 |
| Molecular Formula: | C20 H17 Cl N4 O2 S2 |
| Smiles: | CC(C)Cc1nnc(NC(C(=C/c2ccc(o2)Sc2ccc(cc2)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.46 |
| logD: | 4.51 |
| logSw: | -7.08 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 181.32 |
| InChI Key: | CXZVIGPMHKQXBS-UHFFFAOYSA-N |