8-(benzenesulfonyl)-1-(4-methoxybenzoyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-(4-methoxybenzoyl)-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-(4-methoxybenzoyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
Compound ID: | S764-0993 |
Compound Name: | 8-(benzenesulfonyl)-1-(4-methoxybenzoyl)-1,4,8-triazacycloundecan-5-one |
Molecular Weight: | 445.54 |
Molecular Formula: | C22 H27 N3 O5 S |
Smiles: | COc1ccc(cc1)C(N1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.1427 |
logD: | 1.1427 |
logSw: | -2.3343 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.304 |
InChI Key: | WYSXEJNHGPERCR-UHFFFAOYSA-N |