4-(5-{[5-cyano-4-methyl-2,6-dioxo-1-(2-phenylethyl)-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-(5-{[5-cyano-4-methyl-2,6-dioxo-1-(2-phenylethyl)-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide
4-(5-{[5-cyano-4-methyl-2,6-dioxo-1-(2-phenylethyl)-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 4838-0152 |
| Compound Name: | 4-(5-{[5-cyano-4-methyl-2,6-dioxo-1-(2-phenylethyl)-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzene-1-sulfonamide |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C26 H21 N3 O5 S |
| Smiles: | CC1/C(=C\c2ccc(c3ccc(cc3)S(N)(=O)=O)o2)C(N(CCc2ccccc2)C(C=1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2513 |
| logD: | 3.2506 |
| logSw: | -3.6353 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.333 |
| InChI Key: | MCKIXQMVQKSLCG-UHFFFAOYSA-N |