5-{[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
5-{[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 8002-0697 |
| Compound Name: | 5-{[5-(2,5-dimethyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 355.3 |
| Molecular Formula: | C17 H13 N3 O6 |
| Smiles: | Cc1cc(c(C)c(c1)[N+]([O-])=O)c1ccc(C=C2C(NC(NC2=O)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 2.4711 |
| logD: | 2.1132 |
| logSw: | -3.1052 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.294 |
| InChI Key: | MYIRZCGNDMMBKU-UHFFFAOYSA-N |