methyl 5-[4-({5-[(4-tert-butylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepan-1-yl]-5-oxopentanoate
Chemical Structure Depiction of
methyl 5-[4-({5-[(4-tert-butylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepan-1-yl]-5-oxopentanoate
methyl 5-[4-({5-[(4-tert-butylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepan-1-yl]-5-oxopentanoate
Compound characteristics
| Compound ID: | V006-7592 |
| Compound Name: | methyl 5-[4-({5-[(4-tert-butylphenyl)methoxy]-4-oxo-4H-pyran-2-yl}methyl)-1,4-diazepan-1-yl]-5-oxopentanoate |
| Molecular Weight: | 498.62 |
| Molecular Formula: | C28 H38 N2 O6 |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(COC2=COC(CN3CCCN(CC3)C(CCCC(=O)OC)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.218 |
| logD: | 3.1964 |
| logSw: | -3.3483 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 70.993 |
| InChI Key: | INRUUMREOKSQCK-UHFFFAOYSA-N |