5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 8009-2126 |
| Compound Name: | 5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 401.76 |
| Molecular Formula: | C18 H12 Cl N3 O6 |
| Smiles: | C=CCN1C(C(=C/c2ccc(c3cc(ccc3[Cl])[N+]([O-])=O)o2)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3315 |
| logD: | 3.2767 |
| logSw: | -3.9007 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.203 |
| InChI Key: | GSAVRXQYVUXVNR-UHFFFAOYSA-N |