methyl 4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoate
Chemical Structure Depiction of
methyl 4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoate
methyl 4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoate
Compound characteristics
| Compound ID: | K781-2099 |
| Compound Name: | methyl 4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoate |
| Molecular Weight: | 321.32 |
| Molecular Formula: | C15 H12 F N O4 S |
| Smiles: | COC(c1ccc(c(c1)[N+]([O-])=O)SCc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4682 |
| logD: | 4.4682 |
| logSw: | -4.4523 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.221 |
| InChI Key: | MPRLYYSABARXQF-UHFFFAOYSA-N |