1-(3,5-dimethylphenyl)-5-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(3,5-dimethylphenyl)-5-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
1-(3,5-dimethylphenyl)-5-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 2368-0020 |
| Compound Name: | 1-(3,5-dimethylphenyl)-5-{[4-(2,4-dinitrophenoxy)phenyl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 502.44 |
| Molecular Formula: | C25 H18 N4 O8 |
| Smiles: | Cc1cc(C)cc(c1)N1C(C(=C\c2ccc(cc2)Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4819 |
| logD: | 4.4662 |
| logSw: | -4.5268 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 126.687 |
| InChI Key: | WJAUHKQUYKYXRP-UHFFFAOYSA-N |