5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-9-(hydroxymethyl)-1,5-diazacycloundecan-2-one
Chemical Structure Depiction of
5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-9-(hydroxymethyl)-1,5-diazacycloundecan-2-one
5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-9-(hydroxymethyl)-1,5-diazacycloundecan-2-one
Compound characteristics
| Compound ID: | S786-0261 |
| Compound Name: | 5-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-9-(hydroxymethyl)-1,5-diazacycloundecan-2-one |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C18 H26 N2 O6 S |
| Smiles: | C1CC(CCNC(CCN(C1)S(c1ccc2c(c1)OCCO2)(=O)=O)=O)CO |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.0644 |
| logD: | -0.0644 |
| logSw: | -2.3294 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.242 |
| InChI Key: | YOKPWEPFAAJPRY-AWEZNQCLSA-N |