5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | C508-0063 |
| Compound Name: | 5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 447.4 |
| Molecular Formula: | C23 H17 N3 O7 |
| Smiles: | Cc1ccc(cc1)N1C(C(=C/c2ccc(c3ccc(cc3[N+]([O-])=O)OC)o2)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9164 |
| logD: | 3.6037 |
| logSw: | -4.1695 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.585 |
| InChI Key: | HGOGYWAEMZQSRU-UHFFFAOYSA-N |