5-{[1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-phenyl-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-phenyl-1,3-diazinane-2,4,6-trione
5-{[1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-phenyl-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 3609-0251 |
| Compound Name: | 5-{[1-(3-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-1-phenyl-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 402.36 |
| Molecular Formula: | C21 H14 N4 O5 |
| Smiles: | C(=C1/C(NC(N(C1=O)c1ccccc1)=O)=O)\c1ccn(c1)c1cccc(c1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5846 |
| logD: | 2.2697 |
| logSw: | -3.0495 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.651 |
| InChI Key: | JRYUFKMHZJLZOA-UHFFFAOYSA-N |