5-[(4-tert-butylphenyl)methoxy]-2-({4-[2-(trifluoromethoxy)benzoyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methoxy]-2-({4-[2-(trifluoromethoxy)benzoyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
5-[(4-tert-butylphenyl)methoxy]-2-({4-[2-(trifluoromethoxy)benzoyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-4554 |
| Compound Name: | 5-[(4-tert-butylphenyl)methoxy]-2-({4-[2-(trifluoromethoxy)benzoyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one |
| Molecular Weight: | 558.6 |
| Molecular Formula: | C30 H33 F3 N2 O5 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(COC2=COC(CN3CCCN(CC3)C(c3ccccc3OC(F)(F)F)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6352 |
| logD: | 5.6319 |
| logSw: | -5.4596 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.694 |
| InChI Key: | KUWYQYOMRDMHML-UHFFFAOYSA-N |