1-(benzenesulfonyl)-4-oxo-N-(pentan-3-yl)-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
1-(benzenesulfonyl)-4-oxo-N-(pentan-3-yl)-1,5-diazacycloundecane-8-carboxamide
1-(benzenesulfonyl)-4-oxo-N-(pentan-3-yl)-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
Compound ID: | S733-3209 |
Compound Name: | 1-(benzenesulfonyl)-4-oxo-N-(pentan-3-yl)-1,5-diazacycloundecane-8-carboxamide |
Molecular Weight: | 423.57 |
Molecular Formula: | C21 H33 N3 O4 S |
Smiles: | CCC(CC)NC(C1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.9667 |
logD: | 1.9667 |
logSw: | -2.4747 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 81.897 |
InChI Key: | ZBLGLXFWFULCAH-KRWDZBQOSA-N |