5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-1-(3-methoxyphenyl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-1-(3-methoxyphenyl)-1,3-diazinane-2,4,6-trione
5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-1-(3-methoxyphenyl)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 1102-0047 |
| Compound Name: | 5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-1-(3-methoxyphenyl)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 410.38 |
| Molecular Formula: | C20 H18 N4 O6 |
| Smiles: | CN(C)c1ccc(\C=C2/C(NC(N(C2=O)c2cccc(c2)OC)=O)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5272 |
| logD: | 2.3507 |
| logSw: | -3.0379 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.519 |
| InChI Key: | PSJCMMIUBKEUQJ-UHFFFAOYSA-N |