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 |