methyl 4-[5-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
Chemical Structure Depiction of
methyl 4-[5-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
methyl 4-[5-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate
Compound characteristics
| Compound ID: | C146-5255 |
| Compound Name: | methyl 4-[5-(2-cyano-3-{[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoate |
| Molecular Weight: | 468.55 |
| Molecular Formula: | C22 H20 N4 O4 S2 |
| Smiles: | CC(C)CSc1nc(NC(C(=C/c2ccc(c3ccc(cc3)C(=O)OC)o2)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.99 |
| logD: | 5.3 |
| logSw: | -7.06 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 215.52 |
| InChI Key: | PXBQRVYHKVFQFS-UHFFFAOYSA-N |