1-(3,5-dimethylphenyl)-5-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(3,5-dimethylphenyl)-5-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
1-(3,5-dimethylphenyl)-5-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 4490-1016 |
| Compound Name: | 1-(3,5-dimethylphenyl)-5-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 461.43 |
| Molecular Formula: | C24 H19 N3 O7 |
| Smiles: | Cc1cc(C)cc(c1)N1C(C(=C\c2ccc(c3cc(ccc3OC)[N+]([O-])=O)o2)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2437 |
| logD: | 4.2274 |
| logSw: | -4.505 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.973 |
| InChI Key: | BVILNHNOTCLVKE-UHFFFAOYSA-N |