8-(benzenesulfonyl)-1-(3-methoxybenzene-1-sulfonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-(3-methoxybenzene-1-sulfonyl)-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-(3-methoxybenzene-1-sulfonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
Compound ID: | S764-1237 |
Compound Name: | 8-(benzenesulfonyl)-1-(3-methoxybenzene-1-sulfonyl)-1,4,8-triazacycloundecan-5-one |
Molecular Weight: | 481.59 |
Molecular Formula: | C21 H27 N3 O6 S2 |
Smiles: | COc1cccc(c1)S(N1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 1.4699 |
logD: | 1.4699 |
logSw: | -2.5066 |
Hydrogen bond acceptors count: | 13 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 96.367 |
InChI Key: | UOIOUERDYRBGLX-UHFFFAOYSA-N |