dimethyl 5-bromo-2-{[(4-fluorophenyl)methyl]amino}benzene-1,3-dicarboxylate
Chemical Structure Depiction of
dimethyl 5-bromo-2-{[(4-fluorophenyl)methyl]amino}benzene-1,3-dicarboxylate
dimethyl 5-bromo-2-{[(4-fluorophenyl)methyl]amino}benzene-1,3-dicarboxylate
Compound characteristics
| Compound ID: | C790-0585 |
| Compound Name: | dimethyl 5-bromo-2-{[(4-fluorophenyl)methyl]amino}benzene-1,3-dicarboxylate |
| Molecular Weight: | 396.21 |
| Molecular Formula: | C17 H15 Br F N O4 |
| Smiles: | COC(c1cc(cc(C(=O)OC)c1NCc1ccc(cc1)F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8857 |
| logD: | 3.8844 |
| logSw: | -3.9911 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.425 |
| InChI Key: | BIQJHEARVXMGJR-UHFFFAOYSA-N |