1-(1-methyl-1H-imidazole-4-sulfonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
1-(1-methyl-1H-imidazole-4-sulfonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
1-(1-methyl-1H-imidazole-4-sulfonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
Compound ID: | S733-3266 |
Compound Name: | 1-(1-methyl-1H-imidazole-4-sulfonyl)-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxo-1,5-diazacycloundecane-8-carboxamide |
Molecular Weight: | 496.67 |
Molecular Formula: | C23 H40 N6 O4 S |
Smiles: | CC1CCN(CCCNC(C2CCCN(CCC(NCC2)=O)S(c2cn(C)cn2)(=O)=O)=O)CC1 |
Stereo: | RACEMIC MIXTURE |
logP: | -0.607 |
logD: | -3.1251 |
logSw: | -1.7506 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 97.953 |
InChI Key: | LVYAJPQOZQAQLD-FQEVSTJZSA-N |