5-acetyl-6-methyl-4-(2-methylpropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-6-methyl-4-(2-methylpropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
5-acetyl-6-methyl-4-(2-methylpropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-6026 |
| Compound Name: | 5-acetyl-6-methyl-4-(2-methylpropyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 385.48 |
| Molecular Formula: | C20 H23 N3 O3 S |
| Smiles: | CC(C)CC1C(C#N)=C(NC(C)=C1C(C)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0685 |
| logD: | 1.8245 |
| logSw: | -4.1005 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.31 |
| InChI Key: | DYEKNKNRPOFWRB-KRWDZBQOSA-N |