2-{[4-(3,4-dimethoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(3-methoxyphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(3,4-dimethoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(3-methoxyphenyl)methoxy]-4H-pyran-4-one
2-{[4-(3,4-dimethoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(3-methoxyphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V008-4040 |
| Compound Name: | 2-{[4-(3,4-dimethoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(3-methoxyphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 544.62 |
| Molecular Formula: | C27 H32 N2 O8 S |
| Salt: | not_available |
| Smiles: | COc1cccc(COC2=COC(CN3CCCN(CC3)S(c3ccc(c(c3)OC)OC)(=O)=O)=CC2=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.6007 |
| logD: | 2.6004 |
| logSw: | -2.9441 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 88.537 |
| InChI Key: | TYZSRBCXNZWUAN-UHFFFAOYSA-N |