1-{[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidin-4-yl]methyl}azepane
Chemical Structure Depiction of
1-{[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidin-4-yl]methyl}azepane
1-{[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidin-4-yl]methyl}azepane
Compound characteristics
| Compound ID: | M857-0095 |
| Compound Name: | 1-{[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)piperidin-4-yl]methyl}azepane |
| Molecular Weight: | 394.53 |
| Molecular Formula: | C20 H30 N2 O4 S |
| Smiles: | C1CCCN(CC1)CC1CCN(CC1)S(c1ccc2c(c1)OCCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6342 |
| logD: | -0.2784 |
| logSw: | -2.9553 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.836 |
| InChI Key: | BEBSGELAMHXWBM-UHFFFAOYSA-N |