5-{[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
5-{[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | C370-0867 |
| Compound Name: | 5-{[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 446.42 |
| Molecular Formula: | C23 H18 N4 O6 |
| Smiles: | Cc1ccc(cc1)N1C(C(=C/c2cccn2c2ccc(cc2OC)[N+]([O-])=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6946 |
| logD: | 3.4356 |
| logSw: | -4.0112 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.631 |
| InChI Key: | JVEKMFMGFXRGAA-UHFFFAOYSA-N |