N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Chemical Structure Depiction of
N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | T831-0366 |
| Compound Name: | N-[(1-benzyl-7-oxoazepan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C22 H26 N2 O5 S |
| Smiles: | C1CC(N(CCC1CNS(c1ccc2c(c1)OCCO2)(=O)=O)Cc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1414 |
| logD: | 2.1414 |
| logSw: | -2.8492 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.047 |
| InChI Key: | ZTDRKCIYTJXNEP-KRWDZBQOSA-N |