4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl benzoate
Chemical Structure Depiction of
4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl benzoate
4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl benzoate
Compound characteristics
| Compound ID: | C726-2169 |
| Compound Name: | 4-{2-cyano-3-[(5-morpholino-1,3,4-thiadiazol-2-yl)amino]-3-oxo-1-propenyl}-2-methoxyphenyl benzoate |
| Molecular Weight: | 491.52 |
| Molecular Formula: | C24 H21 N5 O5 S |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nnc(N3CCOCC3)s2)=O)ccc1OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.63 |
| logD: | 3.47 |
| logSw: | -4.43 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 203.54 |
| InChI Key: | CPVHWGJLQXRORR-UHFFFAOYSA-N |