N-[(2H-1,3-benzodioxol-5-yl)methyl]-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)methyl]-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)methyl]-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: | G071-0578 |
Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide |
Molecular Weight: | 484.55 |
Molecular Formula: | C22 H20 N4 O5 S2 |
Smiles: | CCN1c2ccccc2c2c(cnc(n2)SCC(NCc2ccc3c(c2)OCO3)=O)S1(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.7781 |
logD: | 2.7781 |
logSw: | -3.534 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 90.75 |
InChI Key: | QTWMPCIGILQWSQ-UHFFFAOYSA-N |