4-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)benzoic acid
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)benzoic acid
4-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)benzoic acid
Compound characteristics
| Compound ID: | C146-5627 |
| Compound Name: | 4-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)benzoic acid |
| Molecular Weight: | 388.47 |
| Molecular Formula: | C17 H16 N4 O3 S2 |
| Smiles: | CC(C)CSc1nc(NC(C(=C/c2ccc(cc2)C(O)=O)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.56 |
| logD: | 0.95 |
| logSw: | -5.14 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 243.85 |
| InChI Key: | RDSMLVLDVQGAJT-UHFFFAOYSA-N |