2-({4-[2-(methanesulfonyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-5-[(3-methoxyphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-({4-[2-(methanesulfonyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-5-[(3-methoxyphenyl)methoxy]-4H-pyran-4-one
2-({4-[2-(methanesulfonyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-5-[(3-methoxyphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-4382 |
| Compound Name: | 2-({4-[2-(methanesulfonyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-5-[(3-methoxyphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 562.66 |
| Molecular Formula: | C26 H30 N2 O8 S2 |
| Salt: | not_available |
| Smiles: | COc1cccc(COC2=COC(CN3CCCN(CC3)S(c3ccccc3S(C)(=O)=O)(=O)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.5125 |
| logD: | 1.5122 |
| logSw: | -2.306 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 103.026 |
| InChI Key: | OXNJVAXYDWCQIX-UHFFFAOYSA-N |