5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 2636-0070 |
| Compound Name: | 5-acetyl-6-methyl-4-(3-methylthiophen-2-yl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C21 H19 N3 O3 S2 |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCc1cccc(c1)[N+]([O-])=O)c1c(C)ccs1)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3724 |
| logD: | 2.2144 |
| logSw: | -4.3433 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.057 |
| InChI Key: | FVLCOWMJBYIEDG-LJQANCHMSA-N |