5-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3679-0044 |
| Compound Name: | 5-{[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene}-1-(2-fluorophenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 471.85 |
| Molecular Formula: | C21 H11 Cl F N3 O5 S |
| Smiles: | C(=C1/C(NC(N(C1=O)c1ccccc1F)=S)=O)/c1ccc(c2ccc(cc2[N+]([O-])=O)[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 4.2399 |
| logD: | 3.1485 |
| logSw: | -4.7044 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.578 |
| InChI Key: | AKHWPJYWHAXCOV-UHFFFAOYSA-N |