4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 3-methoxybenzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 3-methoxybenzoate
4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 3-methoxybenzoate
Compound characteristics
| Compound ID: | C355-1287 |
| Compound Name: | 4-(2-cyano-3-{[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]amino}-3-oxo-1-propenyl)phenyl 3-methoxybenzoate |
| Molecular Weight: | 512.56 |
| Molecular Formula: | C23 H20 N4 O6 S2 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(cc2)OC(c2cccc(c2)OC)=O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.99 |
| logD: | 1.64 |
| logSw: | -4.94 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 250.37 |
| InChI Key: | GRHKJXGJSWHTGW-UHFFFAOYSA-N |