5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 8006-9201 |
| Compound Name: | 5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 389.75 |
| Molecular Formula: | C17 H12 Cl N3 O6 |
| Smiles: | CN1C(C(=Cc2ccc(c3ccc(cc3[Cl])[N+]([O-])=O)o2)C(N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3119 |
| logD: | 3.3119 |
| logSw: | -3.8497 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 86.077 |
| InChI Key: | WXJRMDWATCBTDP-UHFFFAOYSA-N |