N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(6,9-dimethyl-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-[(6,9-dimethyl-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-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G071-0947 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(6,9-dimethyl-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: | Cc1ccc2c(c1)c1c(cnc(n1)SCC(NCc1ccc3c(c1)OCO3)=O)S(N2C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3014 |
| logD: | 3.3014 |
| logSw: | -3.7018 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.03 |
| InChI Key: | TWBHGLCLLKLZNF-UHFFFAOYSA-N |