5-acetyl-2-{[(3-methoxyphenyl)methyl]sulfanyl}-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-2-{[(3-methoxyphenyl)methyl]sulfanyl}-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
5-acetyl-2-{[(3-methoxyphenyl)methyl]sulfanyl}-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-1695 |
| Compound Name: | 5-acetyl-2-{[(3-methoxyphenyl)methyl]sulfanyl}-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C23 H21 N3 O4 S |
| Smiles: | [H][C@@]1(C(C#N)=C(NC(C)=C1C(C)=O)SCc1cccc(c1)OC)c1ccccc1[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1892 |
| logD: | 2.1824 |
| logSw: | -4.4184 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.282 |
| InChI Key: | DSHOBMKHANTKTM-QFIPXVFZSA-N |