methyl 2-(4,6-diamino-3,5-dicyano-2-sulfanylidenepyridin-1(2H)-yl)benzoate
Chemical Structure Depiction of
methyl 2-(4,6-diamino-3,5-dicyano-2-sulfanylidenepyridin-1(2H)-yl)benzoate
methyl 2-(4,6-diamino-3,5-dicyano-2-sulfanylidenepyridin-1(2H)-yl)benzoate
Compound characteristics
| Compound ID: | K262-0002 |
| Compound Name: | methyl 2-(4,6-diamino-3,5-dicyano-2-sulfanylidenepyridin-1(2H)-yl)benzoate |
| Molecular Weight: | 325.35 |
| Molecular Formula: | C15 H11 N5 O2 S |
| Smiles: | COC(c1ccccc1N1C(=C(C#N)C(=C(C#N)C1=S)N)N)=O |
| Stereo: | ACHIRAL |
| logP: | 0.937 |
| logD: | 0.937 |
| logSw: | -2.178 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 98.663 |
| InChI Key: | DEZUMELTUHHYOQ-UHFFFAOYSA-N |