8-(benzenesulfonyl)-1-(3-methylbenzoyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-(3-methylbenzoyl)-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-(3-methylbenzoyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
Compound ID: | S764-0992 |
Compound Name: | 8-(benzenesulfonyl)-1-(3-methylbenzoyl)-1,4,8-triazacycloundecan-5-one |
Molecular Weight: | 429.54 |
Molecular Formula: | C22 H27 N3 O4 S |
Smiles: | Cc1cccc(c1)C(N1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.4473 |
logD: | 1.4473 |
logSw: | -2.5159 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.76 |
InChI Key: | QUYOSIHGMAAEHJ-UHFFFAOYSA-N |