4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}phenyl 2-fluorobenzoate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}phenyl 2-fluorobenzoate
4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}phenyl 2-fluorobenzoate
Compound characteristics
| Compound ID: | C726-2166 |
| Compound Name: | 4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}phenyl 2-fluorobenzoate |
| Molecular Weight: | 479.49 |
| Molecular Formula: | C23 H18 F N5 O4 S |
| Smiles: | C1COCCN1c1nnc(NC(C(=C/c2ccc(cc2)OC(c2ccccc2F)=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.92 |
| logD: | 3.77 |
| logSw: | -4.89 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 192.12 |
| InChI Key: | WVFDUMACPOSZAX-UHFFFAOYSA-N |