6-hydroxy-1-(2-phenylethyl)-4-[4-(trifluoromethoxy)benzoyl]-1,4-diazepan-2-one
Chemical Structure Depiction of
6-hydroxy-1-(2-phenylethyl)-4-[4-(trifluoromethoxy)benzoyl]-1,4-diazepan-2-one
6-hydroxy-1-(2-phenylethyl)-4-[4-(trifluoromethoxy)benzoyl]-1,4-diazepan-2-one
Compound characteristics
| Compound ID: | SA85-0983 |
| Compound Name: | 6-hydroxy-1-(2-phenylethyl)-4-[4-(trifluoromethoxy)benzoyl]-1,4-diazepan-2-one |
| Molecular Weight: | 422.4 |
| Molecular Formula: | C21 H21 F3 N2 O4 |
| Smiles: | C(CN1CC(CN(CC1=O)C(c1ccc(cc1)OC(F)(F)F)=O)O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6456 |
| logD: | 2.6456 |
| logSw: | -2.958 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.36 |
| InChI Key: | AOAVHGVLAPMWMP-KRWDZBQOSA-N |