N-(2H-1,3-benzodioxol-5-yl)-2-[(6-methyl-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-methyl-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-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G071-0489 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 456.5 |
| Molecular Formula: | C20 H16 N4 O5 S2 |
| Smiles: | CN1c2ccccc2c2c(cnc(n2)SCC(Nc2ccc3c(c2)OCO3)=O)S1(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0474 |
| logD: | 3.0474 |
| logSw: | -3.6145 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.708 |
| InChI Key: | OIVDZTFQBLZNMH-UHFFFAOYSA-N |