2-(azepane-1-carbonyl)-N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Chemical Structure Depiction of
2-(azepane-1-carbonyl)-N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
2-(azepane-1-carbonyl)-N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
Compound characteristics
| Compound ID: | G240-1722 |
| Compound Name: | 2-(azepane-1-carbonyl)-N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C23 H28 N2 O5 S |
| Smiles: | Cc1ccc(cc1C)NS(c1ccc2c(c1)OCC(C(N1CCCCCC1)=O)O2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1538 |
| logD: | 4.1534 |
| logSw: | -4.1364 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.304 |
| InChI Key: | ZBKBGABMJSUQIB-JOCHJYFZSA-N |