5-[(3-methoxyphenyl)methoxy]-2-({4-[4-(trifluoromethoxy)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
Chemical Structure Depiction of
5-[(3-methoxyphenyl)methoxy]-2-({4-[4-(trifluoromethoxy)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
5-[(3-methoxyphenyl)methoxy]-2-({4-[4-(trifluoromethoxy)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
Compound characteristics
| Compound ID: | V006-6290 |
| Compound Name: | 5-[(3-methoxyphenyl)methoxy]-2-({4-[4-(trifluoromethoxy)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one |
| Molecular Weight: | 568.57 |
| Molecular Formula: | C26 H27 F3 N2 O7 S |
| Salt: | not_available |
| Smiles: | COc1cccc(COC2=COC(CN3CCCN(CC3)S(c3ccc(cc3)OC(F)(F)F)(=O)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1857 |
| logD: | 4.1854 |
| logSw: | -4.4454 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 79.213 |
| InChI Key: | NLEIVSMSLVYGRT-UHFFFAOYSA-N |