5-acetyl-2-{[(2-fluorophenyl)methyl]sulfanyl}-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-2-{[(2-fluorophenyl)methyl]sulfanyl}-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
5-acetyl-2-{[(2-fluorophenyl)methyl]sulfanyl}-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8001-5699 |
| Compound Name: | 5-acetyl-2-{[(2-fluorophenyl)methyl]sulfanyl}-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile |
| Molecular Weight: | 423.46 |
| Molecular Formula: | C22 H18 F N3 O3 S |
| Smiles: | CC1=C(C(C)=O)[C@H](C(C#N)=C(N1)SCc1ccccc1F)c1ccccc1[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4205 |
| logD: | 2.5749 |
| logSw: | -4.3262 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.738 |
| InChI Key: | KKSBBFNHVNZDMC-NRFANRHFSA-N |