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 |