5-acetyl-4-(4-chlorophenyl)-6-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-4-(4-chlorophenyl)-6-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
5-acetyl-4-(4-chlorophenyl)-6-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8008-2845 |
| Compound Name: | 5-acetyl-4-(4-chlorophenyl)-6-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C22 H18 Cl N3 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCc1cccc(c1)[N+]([O-])=O)c1ccc(cc1)[Cl])C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6926 |
| logD: | 2.6857 |
| logSw: | -5.2348 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.039 |
| InChI Key: | VCPQPOSHWUTINS-OAQYLSRUSA-N |