5-acetyl-4-(2-bromophenyl)-6-methyl-2-{[(2-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-4-(2-bromophenyl)-6-methyl-2-{[(2-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
5-acetyl-4-(2-bromophenyl)-6-methyl-2-{[(2-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y500-0307 |
| Compound Name: | 5-acetyl-4-(2-bromophenyl)-6-methyl-2-{[(2-nitrophenyl)methyl]sulfanyl}-1,4-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 484.37 |
| Molecular Formula: | C22 H18 Br N3 O3 S |
| Smiles: | CC1=C(C(C(C#N)=C(N1)SCc1ccccc1[N+]([O-])=O)c1ccccc1[Br])C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0402 |
| logD: | 3.1946 |
| logSw: | -4.6627 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.738 |
| InChI Key: | TVWAEOREKSLPIC-OAQYLSRUSA-N |