N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-oxo-2-(pyrrolidine-1-carbonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-oxo-2-(pyrrolidine-1-carbonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-oxo-2-(pyrrolidine-1-carbonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide
Compound characteristics
| Compound ID: | L592-0468 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[3-oxo-2-(pyrrolidine-1-carbonyl)-2,3-dihydro-4H-1,4-benzothiazin-4-yl]acetamide |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C23 H23 N3 O5 S |
| Smiles: | C1CCN(C1)C(C1C(N(CC(NCc2ccc3c(c2)OCO3)=O)c2ccccc2S1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.424 |
| logD: | 2.424 |
| logSw: | -2.9574 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.942 |
| InChI Key: | JSSUVMFOTAYCGA-NRFANRHFSA-N |