4-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 2-fluorobenzoate
Chemical Structure Depiction of
4-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 2-fluorobenzoate
4-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 2-fluorobenzoate
Compound characteristics
| Compound ID: | C356-1327 |
| Compound Name: | 4-(2-cyano-3-{[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]amino}-3-oxo-1-propenyl)-2-methoxyphenyl 2-fluorobenzoate |
| Molecular Weight: | 544.58 |
| Molecular Formula: | C24 H21 F N4 O6 S2 |
| Smiles: | CC(C)CS(c1nnc(NC(C(=C/c2ccc(c(c2)OC)OC(c2ccccc2F)=O)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.82 |
| logD: | 2.47 |
| logSw: | -5.72 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 247.61 |
| InChI Key: | MJWHHMUIPRCFAR-UHFFFAOYSA-N |