2-{[4-(4-butoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(3-methoxyphenyl)methoxy]-4H-pyran-4-one
Chemical Structure Depiction of
2-{[4-(4-butoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(3-methoxyphenyl)methoxy]-4H-pyran-4-one
2-{[4-(4-butoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(3-methoxyphenyl)methoxy]-4H-pyran-4-one
Compound characteristics
| Compound ID: | V007-1630 |
| Compound Name: | 2-{[4-(4-butoxybenzene-1-sulfonyl)-1,4-diazepan-1-yl]methyl}-5-[(3-methoxyphenyl)methoxy]-4H-pyran-4-one |
| Molecular Weight: | 556.68 |
| Molecular Formula: | C29 H36 N2 O7 S |
| Salt: | not_available |
| Smiles: | CCCCOc1ccc(cc1)S(N1CCCN(CC1)CC1=CC(C(=CO1)OCc1cccc(c1)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4268 |
| logD: | 4.4265 |
| logSw: | -4.2824 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 80.694 |
| InChI Key: | OIBUSBCODWDENI-UHFFFAOYSA-N |