4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}phenyl 2-chlorobenzoate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}phenyl 2-chlorobenzoate
4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}phenyl 2-chlorobenzoate
Compound characteristics
| Compound ID: | C726-2165 |
| Compound Name: | 4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}phenyl 2-chlorobenzoate |
| Molecular Weight: | 495.94 |
| Molecular Formula: | C23 H18 Cl N5 O4 S |
| Smiles: | C1COCCN1c1nnc(NC(C(=C/c2ccc(cc2)OC(c2ccccc2[Cl])=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5 |
| logD: | 4.35 |
| logSw: | -5.56 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 191.24 |
| InChI Key: | DQZJHQQJXOOAJL-UHFFFAOYSA-N |