1-(3-chloro-4-methylphenyl)-5-{[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(3-chloro-4-methylphenyl)-5-{[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
1-(3-chloro-4-methylphenyl)-5-{[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | C370-1712 |
| Compound Name: | 1-(3-chloro-4-methylphenyl)-5-{[1-(2-methoxy-4-nitrophenyl)-1H-pyrrol-2-yl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 480.86 |
| Molecular Formula: | C23 H17 Cl N4 O6 |
| Smiles: | Cc1ccc(cc1[Cl])N1C(C(=C/c2cccn2c2ccc(cc2OC)[N+]([O-])=O)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5261 |
| logD: | 3.6179 |
| logSw: | -4.7563 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.631 |
| InChI Key: | CZTQIITVUHTTTP-UHFFFAOYSA-N |