1-(2,5-dimethoxybenzene-1-sulfonyl)-8-(pyridine-3-carbonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-(2,5-dimethoxybenzene-1-sulfonyl)-8-(pyridine-3-carbonyl)-1,4,8-triazacycloundecan-5-one
1-(2,5-dimethoxybenzene-1-sulfonyl)-8-(pyridine-3-carbonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1558 |
| Compound Name: | 1-(2,5-dimethoxybenzene-1-sulfonyl)-8-(pyridine-3-carbonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C22 H28 N4 O6 S |
| Smiles: | COc1ccc(c(c1)S(N1CCCN(CCC(NCC1)=O)C(c1cccnc1)=O)(=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | -0.1577 |
| logD: | -0.1578 |
| logSw: | -1.7777 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.452 |
| InChI Key: | FTVHCMGBHCPTBZ-UHFFFAOYSA-N |