1-(3-chloro-4-methoxyphenyl)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(3-chloro-4-methoxyphenyl)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
1-(3-chloro-4-methoxyphenyl)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | C370-1864 |
| Compound Name: | 1-(3-chloro-4-methoxyphenyl)-5-{[1-(4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 466.84 |
| Molecular Formula: | C22 H15 Cl N4 O6 |
| Smiles: | COc1ccc(cc1[Cl])N1C(C(=C/c2cccn2c2ccc(cc2)[N+]([O-])=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4993 |
| logD: | 2.5912 |
| logSw: | -3.9086 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.932 |
| InChI Key: | YWCNQMUUTZJOEM-UHFFFAOYSA-N |