N-[4-(5-{[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzene-1-sulfonyl]acetamide
Chemical Structure Depiction of
N-[4-(5-{[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzene-1-sulfonyl]acetamide
N-[4-(5-{[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzene-1-sulfonyl]acetamide
Compound characteristics
| Compound ID: | 4838-0073 |
| Compound Name: | N-[4-(5-{[5-cyano-1-(2-hydroxyethyl)-4-methyl-2,6-dioxo-1,6-dihydropyridin-3(2H)-ylidene]methyl}furan-2-yl)benzene-1-sulfonyl]acetamide |
| Molecular Weight: | 469.47 |
| Molecular Formula: | C22 H19 N3 O7 S |
| Smiles: | CC1/C(=C\c2ccc(c3ccc(cc3)S(NC(C)=O)(=O)=O)o2)C(N(CCO)C(C=1C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6817 |
| logD: | -2.4649 |
| logSw: | -2.1934 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 125.656 |
| InChI Key: | KXIAWZPGCZUJJO-WOJGMQOQSA-N |