1-(4-bromophenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(4-bromophenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(4-bromophenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3685-1783 |
| Compound Name: | 1-(4-bromophenyl)-5-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 498.31 |
| Molecular Formula: | C21 H12 Br N3 O5 S |
| Smiles: | C(=C1/C(NC(N(C1=O)c1ccc(cc1)[Br])=S)=O)\c1ccc(c2ccccc2[N+]([O-])=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.3301 |
| logD: | 3.9439 |
| logSw: | -4.6239 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.879 |
| InChI Key: | KMVXXOHLFUWTHN-UHFFFAOYSA-N |