5-acetyl-6-methyl-4-(2-methylphenyl)-2-{[(2-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-6-methyl-4-(2-methylphenyl)-2-{[(2-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
5-acetyl-6-methyl-4-(2-methylphenyl)-2-{[(2-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-0306 |
| Compound Name: | 5-acetyl-6-methyl-4-(2-methylphenyl)-2-{[(2-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C23 H21 N3 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCc1ccccc1[N+]([O-])=O)c1ccccc1C)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8769 |
| logD: | 2.8701 |
| logSw: | -4.5781 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.738 |
| InChI Key: | OBHQTRBJHNQIFH-QFIPXVFZSA-N |