N-(2H-1,3-benzodioxol-5-yl)-2-[(9-chloro-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-[(9-chloro-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-[(9-chloro-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: | G071-0695 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(9-chloro-6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 490.94 |
| Molecular Formula: | C20 H15 Cl N4 O5 S2 |
| Smiles: | CN1c2ccc(cc2c2c(cnc(n2)SCC(Nc2ccc3c(c2)OCO3)=O)S1(=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8145 |
| logD: | 3.8144 |
| logSw: | -4.2366 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.708 |
| InChI Key: | MHGYQEGGEUHXLY-UHFFFAOYSA-N |