N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-methyl-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-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide
Compound characteristics
| Compound ID: | E511-1317 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)propanamide |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C20 H20 N2 O6 S2 |
| Smiles: | CC1C(Nc2cc(ccc2S1)S(CCC(NCc1ccc2c(c1)OCO2)=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9439 |
| logD: | 1.9439 |
| logSw: | -2.8185 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.468 |
| InChI Key: | PZSREIULQIQCJY-GFCCVEGCSA-N |