7-(4-nitrophenyl)-2-sulfanylidene-2H-1,3-benzoxathiol-5-yl 4-chlorobenzoate
Chemical Structure Depiction of
7-(4-nitrophenyl)-2-sulfanylidene-2H-1,3-benzoxathiol-5-yl 4-chlorobenzoate
7-(4-nitrophenyl)-2-sulfanylidene-2H-1,3-benzoxathiol-5-yl 4-chlorobenzoate
Compound characteristics
Compound ID: | 8010-7103 |
Compound Name: | 7-(4-nitrophenyl)-2-sulfanylidene-2H-1,3-benzoxathiol-5-yl 4-chlorobenzoate |
Molecular Weight: | 443.88 |
Molecular Formula: | C20 H10 Cl N O5 S2 |
Smiles: | c1cc(ccc1C(=O)Oc1cc(c2ccc(cc2)[N+]([O-])=O)c2c(c1)SC(O2)=S)[Cl] |
Stereo: | ACHIRAL |
logP: | 6.0138 |
logD: | 6.0138 |
logSw: | -6.2644 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 62.445 |
InChI Key: | NEVCUGNCRSNUGS-UHFFFAOYSA-N |