5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-phenyl-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-phenyl-1,3-diazinane-2,4,6-trione
5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-phenyl-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 4058-0014 |
| Compound Name: | 5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-phenyl-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 430.42 |
| Molecular Formula: | C23 H18 N4 O5 |
| Smiles: | Cc1cc(/C=C2/C(NC(N(C2=O)c2ccccc2)=O)=O)c(C)n1c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9368 |
| logD: | 2.8565 |
| logSw: | -3.4803 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.437 |
| InChI Key: | AVJDITGYBJDQQM-UHFFFAOYSA-N |