2-({4-[3,5-bis(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}methyl)-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-({4-[3,5-bis(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}methyl)-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
2-({4-[3,5-bis(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}methyl)-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V011-1282 |
| Compound Name: | 2-({4-[3,5-bis(trifluoromethyl)benzoyl]-1,4-diazepan-1-yl}methyl)-5-[(4-tert-butylphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 610.6 |
| Molecular Formula: | C31 H32 F6 N2 O4 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(COC2=COC(CN3CCCN(CC3)C(c3cc(cc(c3)C(F)(F)F)C(F)(F)F)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1637 |
| logD: | 6.1604 |
| logSw: | -5.5737 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.67 |
| InChI Key: | WBOBTGNDQOGRLK-UHFFFAOYSA-N |