5-{[1-(2-chloro-5-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[1-(2-chloro-5-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
5-{[1-(2-chloro-5-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | C370-0963 |
| Compound Name: | 5-{[1-(2-chloro-5-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 466.84 |
| Molecular Formula: | C22 H15 Cl N4 O6 |
| Smiles: | COc1ccc(cc1)N1C(C(=C/c2cccn2c2cc(ccc2[Cl])[N+]([O-])=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6151 |
| logD: | 3.3561 |
| logSw: | -4.0726 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.545 |
| InChI Key: | VEKUIKAUXSLGFD-UHFFFAOYSA-N |