5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3679-2164 |
| Compound Name: | 5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 450.27 |
| Molecular Formula: | C17 H12 Br N3 O5 S |
| Smiles: | CN1C(C(=Cc2ccc(c3ccc(cc3[Br])[N+]([O-])=O)o2)C(N(C)C1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1064 |
| logD: | 3.1064 |
| logSw: | -3.4469 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 72.769 |
| InChI Key: | WHSZSLPCRCUJGT-UHFFFAOYSA-N |