5-acetyl-6-methyl-4-(2-nitrophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-6-methyl-4-(2-nitrophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
5-acetyl-6-methyl-4-(2-nitrophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8001-5698 |
| Compound Name: | 5-acetyl-6-methyl-4-(2-nitrophenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 450.47 |
| Molecular Formula: | C22 H18 N4 O5 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCc1ccc(cc1)[N+]([O-])=O)c1ccccc1[N+]([O-])=O)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7819 |
| logD: | 1.7751 |
| logSw: | -3.9929 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.119 |
| InChI Key: | ANLZFHYVCGULOQ-NRFANRHFSA-N |