4-[(5-bromo-2-fluorophenyl)methyl]-6-hydroxy-1-(2-phenylethyl)-1,4-diazepan-2-one
Chemical Structure Depiction of
4-[(5-bromo-2-fluorophenyl)methyl]-6-hydroxy-1-(2-phenylethyl)-1,4-diazepan-2-one
4-[(5-bromo-2-fluorophenyl)methyl]-6-hydroxy-1-(2-phenylethyl)-1,4-diazepan-2-one
Compound characteristics
| Compound ID: | SA85-0985 |
| Compound Name: | 4-[(5-bromo-2-fluorophenyl)methyl]-6-hydroxy-1-(2-phenylethyl)-1,4-diazepan-2-one |
| Molecular Weight: | 421.31 |
| Molecular Formula: | C20 H22 Br F N2 O2 |
| Smiles: | C(CN1CC(CN(CC1=O)Cc1cc(ccc1F)[Br])O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0333 |
| logD: | 3.0318 |
| logSw: | -3.2523 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.507 |
| InChI Key: | YMGAHPGFQTUHDL-SFHVURJKSA-N |