2-{2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamido}benzamide
Chemical Structure Depiction of
2-{2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamido}benzamide
2-{2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamido}benzamide
Compound characteristics
| Compound ID: | G071-0970 |
| Compound Name: | 2-{2-[(6,9-dimethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamido}benzamide |
| Molecular Weight: | 469.54 |
| Molecular Formula: | C21 H19 N5 O4 S2 |
| Smiles: | Cc1ccc2c(c1)c1c(cnc(n1)SCC(Nc1ccccc1C(N)=O)=O)S(N2C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2944 |
| logD: | 2.2943 |
| logSw: | -3.1333 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.954 |
| InChI Key: | JKXDDSYAFLWIOV-UHFFFAOYSA-N |