5-acetyl-6-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}pyridine-3-carbonitrile
Chemical Structure Depiction of
5-acetyl-6-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}pyridine-3-carbonitrile
5-acetyl-6-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | F235-0806 |
| Compound Name: | 5-acetyl-6-methyl-2-{[(4-nitrophenyl)methyl]sulfanyl}pyridine-3-carbonitrile |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C16 H13 N3 O3 S |
| Smiles: | CC(c1cc(C#N)c(nc1C)SCc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0973 |
| logD: | 3.0973 |
| logSw: | -3.3932 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.555 |
| InChI Key: | SKNPVPYUCZMRJG-UHFFFAOYSA-N |