5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 4058-0074 |
| Compound Name: | 5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 528.34 |
| Molecular Formula: | C22 H14 Br N3 O6 S |
| Smiles: | COc1ccc(cc1)N1C(C(=C/c2ccc(c3ccc(cc3[Br])[N+]([O-])=O)o2)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7429 |
| logD: | 4.3567 |
| logSw: | -4.6571 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.723 |
| InChI Key: | OFHWVZMLWAPKIE-UHFFFAOYSA-N |