4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}phenyl 4-chlorobenzoate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}phenyl 4-chlorobenzoate
4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}phenyl 4-chlorobenzoate
Compound characteristics
| Compound ID: | C726-2161 |
| Compound Name: | 4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}phenyl 4-chlorobenzoate |
| Molecular Weight: | 495.94 |
| Molecular Formula: | C23 H18 Cl N5 O4 S |
| Smiles: | C1COCCN1c1nnc(NC(C(=C/c2ccc(cc2)OC(c2ccc(cc2)[Cl])=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.36 |
| logD: | 4.21 |
| logSw: | -5.84 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 194.25 |
| InChI Key: | NYWQGZVBWFWKHB-UHFFFAOYSA-N |