8-(benzenesulfonyl)-1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-0966 |
| Compound Name: | 8-(benzenesulfonyl)-1-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 473.55 |
| Molecular Formula: | C23 H27 N3 O6 S |
| Smiles: | C1CN(CCNC(CCN(C1)S(c1ccccc1)(=O)=O)=O)C(C1COc2ccccc2O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2961 |
| logD: | 1.2961 |
| logSw: | -2.354 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.197 |
| InChI Key: | VPMCXQNDGFVGAX-NRFANRHFSA-N |