5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-6218 |
| Compound Name: | 5-[(4-tert-butylphenyl)methoxy]-2-{[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 566.52 |
| Molecular Formula: | C26 H29 F7 N2 O4 |
| Smiles: | CC(C)(C)c1ccc(COC2=COC(CN3CCCN(CC3)C(C(C(C(F)(F)F)(F)F)(F)F)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4458 |
| logD: | 5.4425 |
| logSw: | -5.3477 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.942 |
| InChI Key: | DNHWBGPHVPPWAQ-UHFFFAOYSA-N |