8-(benzenesulfonyl)-1-(3-methylbutanoyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-(3-methylbutanoyl)-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-(3-methylbutanoyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
Compound ID: | S764-0994 |
Compound Name: | 8-(benzenesulfonyl)-1-(3-methylbutanoyl)-1,4,8-triazacycloundecan-5-one |
Molecular Weight: | 395.52 |
Molecular Formula: | C19 H29 N3 O4 S |
Smiles: | CC(C)CC(N1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.1214 |
logD: | 1.1214 |
logSw: | -2.3449 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.504 |
InChI Key: | MFNUQUBWKSNLHN-UHFFFAOYSA-N |