8-(benzenesulfonyl)-1-[(3-methoxyphenyl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-[(3-methoxyphenyl)methyl]-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-[(3-methoxyphenyl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1138 |
| Compound Name: | 8-(benzenesulfonyl)-1-[(3-methoxyphenyl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 431.55 |
| Molecular Formula: | C22 H29 N3 O4 S |
| Smiles: | COc1cccc(CN2CCCN(CCC(NCC2)=O)S(c2ccccc2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.9388 |
| logD: | 0.7962 |
| logSw: | -2.7903 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.388 |
| InChI Key: | OQDAEHZPRUMEKI-UHFFFAOYSA-N |