2-[4-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenoxy]acetic acid
Chemical Structure Depiction of
2-[4-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenoxy]acetic acid
2-[4-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenoxy]acetic acid
Compound characteristics
| Compound ID: | C356-1284 |
| Compound Name: | 2-[4-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)phenoxy]acetic acid |
| Molecular Weight: | 450.49 |
| Molecular Formula: | C18 H18 N4 O6 S2 |
| Smiles: | CC(C)CS(c1nnc(NC(C(=C/c2ccc(cc2)OCC(O)=O)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9 |
| logD: | -1.34 |
| logSw: | -3.83 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 284.42 |
| InChI Key: | ZSBSBQWERITAIY-UHFFFAOYSA-N |