5-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-1,3-diazinane-2,4,6-trione
5-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 2150-0688 |
| Compound Name: | 5-{[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 428.31 |
| Molecular Formula: | C18 H12 N4 O9 |
| Smiles: | COc1cc(C=C2C(NC(NC2=O)=O)=O)ccc1Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9734 |
| logD: | 1.6262 |
| logSw: | -2.8584 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 143.657 |
| InChI Key: | RRSWWQRVMFTVFT-UHFFFAOYSA-N |