N-(2H-1,3-benzodioxol-5-yl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G071-0563 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 470.52 |
| Molecular Formula: | C21 H18 N4 O5 S2 |
| Smiles: | CCN1c2ccccc2c2c(cnc(n2)SCC(Nc2ccc3c(c2)OCO3)=O)S1(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0168 |
| logD: | 3.0167 |
| logSw: | -3.5926 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.428 |
| InChI Key: | AKQNMYXKEHYRAW-UHFFFAOYSA-N |