N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide
Compound characteristics
| Compound ID: | L305-0075 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-oxo-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonamide |
| Molecular Weight: | 475.54 |
| Molecular Formula: | C21 H21 N3 O6 S2 |
| Smiles: | C1CCN(C1)C(C1C(Nc2cc(ccc2S1)S(NCc1ccc2c(c1)OCO2)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5289 |
| logD: | 2.5288 |
| logSw: | -3.0878 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.004 |
| InChI Key: | QPYPBRLONLAKLX-LJQANCHMSA-N |