3-[5-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoic acid
Chemical Structure Depiction of
3-[5-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoic acid
3-[5-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoic acid
Compound characteristics
| Compound ID: | C355-1136 |
| Compound Name: | 3-[5-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)-2-furyl]benzoic acid |
| Molecular Weight: | 472.5 |
| Molecular Formula: | C20 H16 N4 O6 S2 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(c3cccc(c3)C(O)=O)o2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.93 |
| logD: | 0.41 |
| logSw: | -4.53 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 268.4 |
| InChI Key: | KTMPCNFRAUFGAC-UHFFFAOYSA-N |