methyl 3-{[2-(4-fluorophenyl)ethyl]carbamoyl}-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-{[2-(4-fluorophenyl)ethyl]carbamoyl}-5-nitrobenzoate
methyl 3-{[2-(4-fluorophenyl)ethyl]carbamoyl}-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-1975 |
| Compound Name: | methyl 3-{[2-(4-fluorophenyl)ethyl]carbamoyl}-5-nitrobenzoate |
| Molecular Weight: | 346.31 |
| Molecular Formula: | C17 H15 F N2 O5 |
| Smiles: | COC(c1cc(cc(c1)[N+]([O-])=O)C(NCCc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7656 |
| logD: | 2.7656 |
| logSw: | -3.2166 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.049 |
| InChI Key: | DNJJNFHETNJFIY-UHFFFAOYSA-N |