5-[(3-methoxyphenyl)methoxy]-2-({4-[2-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3-methoxyphenyl)methoxy]-2-({4-[2-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
5-[(3-methoxyphenyl)methoxy]-2-({4-[2-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-6267 |
| Compound Name: | 5-[(3-methoxyphenyl)methoxy]-2-({4-[2-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one |
| Molecular Weight: | 552.57 |
| Molecular Formula: | C26 H27 F3 N2 O6 S |
| Smiles: | COc1cccc(COC2=COC(CN3CCCN(CC3)S(c3ccccc3C(F)(F)F)(=O)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7816 |
| logD: | 3.7813 |
| logSw: | -4.0558 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 73.277 |
| InChI Key: | JVINQWLDVDZQGT-UHFFFAOYSA-N |