5-nitro-2-{[2-(4-oxo-2-sulfanylidene-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl)ethyl]amino}benzonitrile
Chemical Structure Depiction of
5-nitro-2-{[2-(4-oxo-2-sulfanylidene-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl)ethyl]amino}benzonitrile
5-nitro-2-{[2-(4-oxo-2-sulfanylidene-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl)ethyl]amino}benzonitrile
Compound characteristics
| Compound ID: | K256-0035 |
| Compound Name: | 5-nitro-2-{[2-(4-oxo-2-sulfanylidene-1,4-dihydropyrido[2,3-d]pyrimidin-3(2H)-yl)ethyl]amino}benzonitrile |
| Molecular Weight: | 368.37 |
| Molecular Formula: | C16 H12 N6 O3 S |
| Smiles: | C(CN1C(c2cccnc2NC1=S)=O)Nc1ccc(cc1C#N)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3048 |
| logD: | 2.2432 |
| logSw: | -3.1789 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.007 |
| InChI Key: | WEVCKWQHFDRXHE-UHFFFAOYSA-N |