methyl 4-{[(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl]amino}benzoate
methyl 4-{[(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl]amino}benzoate
Compound characteristics
| Compound ID: | Y508-2078 |
| Compound Name: | methyl 4-{[(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl]amino}benzoate |
| Molecular Weight: | 325.32 |
| Molecular Formula: | C17 H15 N3 O4 |
| Smiles: | CC1/C(=C/Nc2ccc(cc2)C(=O)OC)C(N(C)C(C=1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5635 |
| logD: | 0.8002 |
| logSw: | -1.9299 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.994 |
| InChI Key: | SOKIGMAWUYGGDN-UHFFFAOYSA-N |