5-[(4-tert-butylphenyl)methoxy]-2-({4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methoxy]-2-({4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
5-[(4-tert-butylphenyl)methoxy]-2-({4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-3932 |
| Compound Name: | 5-[(4-tert-butylphenyl)methoxy]-2-({4-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one |
| Molecular Weight: | 557.61 |
| Molecular Formula: | C30 H34 F3 N3 O4 |
| Salt: | not_available |
| Smiles: | Cc1c(ccc(C(F)(F)F)n1)C(N1CCCN(CC1)CC1=CC(C(=CO1)OCc1ccc(cc1)C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0492 |
| logD: | 5.0459 |
| logSw: | -4.682 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.863 |
| InChI Key: | RIIQNMZVBHAXEI-UHFFFAOYSA-N |