cyclohexyl 4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoate
Chemical Structure Depiction of
cyclohexyl 4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoate
cyclohexyl 4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoate
Compound characteristics
| Compound ID: | K781-2191 |
| Compound Name: | cyclohexyl 4-{[(2-fluorophenyl)methyl]sulfanyl}-3-nitrobenzoate |
| Molecular Weight: | 389.44 |
| Molecular Formula: | C20 H20 F N O4 S |
| Smiles: | C1CCC(CC1)OC(c1ccc(c(c1)[N+]([O-])=O)SCc1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1851 |
| logD: | 6.1851 |
| logSw: | -5.9706 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.131 |
| InChI Key: | XLALDFHIKPVQMB-UHFFFAOYSA-N |