4-{[(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl]amino}-3-methoxy-N-phenylbenzene-1-sulfonamide
Chemical Structure Depiction of
4-{[(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl]amino}-3-methoxy-N-phenylbenzene-1-sulfonamide
4-{[(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl]amino}-3-methoxy-N-phenylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y508-0434 |
| Compound Name: | 4-{[(5-cyano-1,4-dimethyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene)methyl]amino}-3-methoxy-N-phenylbenzene-1-sulfonamide |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C22 H20 N4 O5 S |
| Smiles: | CC1/C(=C/Nc2ccc(cc2OC)S(Nc2ccccc2)(=O)=O)C(N(C)C(C=1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9898 |
| logD: | -0.4363 |
| logSw: | -2.8751 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.402 |
| InChI Key: | JKOGXZRSIOKEAK-UHFFFAOYSA-N |