5-[(4-tert-butylphenyl)methoxy]-2-({4-[3-(2-methoxyphenoxy)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methoxy]-2-({4-[3-(2-methoxyphenoxy)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
5-[(4-tert-butylphenyl)methoxy]-2-({4-[3-(2-methoxyphenoxy)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-4009 |
| Compound Name: | 5-[(4-tert-butylphenyl)methoxy]-2-({4-[3-(2-methoxyphenoxy)benzene-1-sulfonyl]-1,4-diazepan-1-yl}methyl)-4H-pyran-4-one |
| Molecular Weight: | 632.78 |
| Molecular Formula: | C35 H40 N2 O7 S |
| Smiles: | CC(C)(C)c1ccc(COC2=COC(CN3CCCN(CC3)S(c3cccc(c3)Oc3ccccc3OC)(=O)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0919 |
| logD: | 6.0916 |
| logSw: | -5.4662 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 80.198 |
| InChI Key: | MPNXEBGNWGQGQE-UHFFFAOYSA-N |