5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 2368-1310 |
| Compound Name: | 5-{[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 460.45 |
| Molecular Formula: | C24 H20 N4 O6 |
| Smiles: | Cc1cc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)OC)=O)=O)c(C)n1c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9596 |
| logD: | 2.8793 |
| logSw: | -3.5138 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.981 |
| InChI Key: | JQASVRBFHRHQBQ-UHFFFAOYSA-N |