2-amino-4-benzyl-6-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile
Chemical Structure Depiction of
2-amino-4-benzyl-6-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile
2-amino-4-benzyl-6-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile
Compound characteristics
| Compound ID: | 4088-0190 |
| Compound Name: | 2-amino-4-benzyl-6-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile |
| Molecular Weight: | 429.46 |
| Molecular Formula: | C22 H15 N5 O3 S |
| Smiles: | C(c1ccccc1)c1c(C#N)c(N)nc(c1C#N)SCC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.936 |
| logD: | 3.936 |
| logSw: | -4.7035 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 109.88 |
| InChI Key: | AMWUMVSISRHNRF-UHFFFAOYSA-N |