N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide
Compound characteristics
Compound ID: | E589-0892 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-ethyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide |
Molecular Weight: | 462.54 |
Molecular Formula: | C21 H22 N2 O6 S2 |
Smiles: | CCC1C(Nc2cc(ccc2S1)S(CCC(NCc1ccc2c(c1)OCO2)=O)(=O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 2.461 |
logD: | 2.461 |
logSw: | -2.9739 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 95.468 |
InChI Key: | GPYFXPGEMNXKRB-GOSISDBHSA-N |