5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 4058-0417 |
| Compound Name: | 5-{[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene}-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 455.78 |
| Molecular Formula: | C21 H11 Cl F N3 O6 |
| Smiles: | C(=C1/C(NC(N(C1=O)c1ccccc1F)=O)=O)\c1ccc(c2ccc(c(c2)[N+]([O-])=O)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 3.7491 |
| logD: | 2.7784 |
| logSw: | -4.4511 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.74 |
| InChI Key: | NOADOKUCSHZHLO-UHFFFAOYSA-N |