5-[(4-tert-butylphenyl)methoxy]-2-{[4-(3,4-dimethoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(3,4-dimethoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
5-[(4-tert-butylphenyl)methoxy]-2-{[4-(3,4-dimethoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one
Compound characteristics
| Compound ID: | V007-1566 |
| Compound Name: | 5-[(4-tert-butylphenyl)methoxy]-2-{[4-(3,4-dimethoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-4H-pyran-4-one |
| Molecular Weight: | 570.71 |
| Molecular Formula: | C30 H38 N2 O7 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(COC2=COC(CN3CCCN(CC3)S(c3ccc(c(c3)OC)OC)(=O)=O)=CC2=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2899 |
| logD: | 4.2896 |
| logSw: | -4.3665 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 80.994 |
| InChI Key: | BEVUFACGFYLAEK-UHFFFAOYSA-N |