N-(2H-1,3-benzodioxol-5-yl)-1-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-1-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperidine-4-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-1-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperidine-4-carboxamide
Compound characteristics
Compound ID: | L306-0923 |
Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-1-(3-ethyl-2-oxo-2,3-dihydro-1,3-benzothiazole-6-sulfonyl)piperidine-4-carboxamide |
Molecular Weight: | 489.57 |
Molecular Formula: | C22 H23 N3 O6 S2 |
Smiles: | CCN1C(=O)Sc2cc(ccc12)S(N1CCC(CC1)C(Nc1ccc2c(c1)OCO2)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 3.3856 |
logD: | 3.3854 |
logSw: | -3.8263 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 87.725 |
InChI Key: | XWELQNCZAHLCFV-UHFFFAOYSA-N |