8-(benzenesulfonyl)-1-[(3-methylphenyl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-[(3-methylphenyl)methyl]-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-[(3-methylphenyl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1137 |
| Compound Name: | 8-(benzenesulfonyl)-1-[(3-methylphenyl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 415.55 |
| Molecular Formula: | C22 H29 N3 O3 S |
| Smiles: | Cc1cccc(CN2CCCN(CCC(NCC2)=O)S(c2ccccc2)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.53 |
| logD: | 2.2414 |
| logSw: | -2.9009 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.844 |
| InChI Key: | ZUGGSPDZJRIOLD-UHFFFAOYSA-N |