methyl 5-[4-({5-[(3-methoxyphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepan-1-yl]-5-oxopentanoate
Chemical Structure Depiction of
methyl 5-[4-({5-[(3-methoxyphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepan-1-yl]-5-oxopentanoate
methyl 5-[4-({5-[(3-methoxyphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepan-1-yl]-5-oxopentanoate
Compound characteristics
| Compound ID: | V011-8229 |
| Compound Name: | methyl 5-[4-({5-[(3-methoxyphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepan-1-yl]-5-oxopentanoate |
| Molecular Weight: | 472.54 |
| Molecular Formula: | C25 H32 N2 O7 |
| Smiles: | COC(CCCC(N1CCCN(CC1)CC1=CC(C(=CO1)OCc1cccc(c1)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5288 |
| logD: | 1.5072 |
| logSw: | -1.7993 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 78.537 |
| InChI Key: | VAQJDIPQQDWAEP-UHFFFAOYSA-N |