5-acetyl-2-{[2-([1,1'-biphenyl]-4-yl)-2-oxoethyl]sulfanyl}-6-methyl-4-(naphthalen-1-yl)-1,4-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-2-{[2-([1,1'-biphenyl]-4-yl)-2-oxoethyl]sulfanyl}-6-methyl-4-(naphthalen-1-yl)-1,4-dihydropyridine-3-carbonitrile
5-acetyl-2-{[2-([1,1'-biphenyl]-4-yl)-2-oxoethyl]sulfanyl}-6-methyl-4-(naphthalen-1-yl)-1,4-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 2636-0047 |
| Compound Name: | 5-acetyl-2-{[2-([1,1'-biphenyl]-4-yl)-2-oxoethyl]sulfanyl}-6-methyl-4-(naphthalen-1-yl)-1,4-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 514.65 |
| Molecular Formula: | C33 H26 N2 O2 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCC(c1ccc(cc1)c1ccccc1)=O)c1cccc2ccccc12)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.7802 |
| logD: | 4.7387 |
| logSw: | -6.7467 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.361 |
| InChI Key: | IOKBGLSSTSVSTA-YTTGMZPUSA-N |