5-({3-methoxy-4-[(5-nitropyridin-2-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-({3-methoxy-4-[(5-nitropyridin-2-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-({3-methoxy-4-[(5-nitropyridin-2-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8008-7903 |
| Compound Name: | 5-({3-methoxy-4-[(5-nitropyridin-2-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 400.37 |
| Molecular Formula: | C17 H12 N4 O6 S |
| Smiles: | COc1cc(C=C2C(NC(NC2=O)=S)=O)ccc1Oc1ccc(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.4173 |
| logD: | 1.9918 |
| logSw: | -2.9546 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.51 |
| InChI Key: | HQQLQCGNPZDPMR-UHFFFAOYSA-N |