methyl 4-{2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G071-0560 |
| Compound Name: | methyl 4-{2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C22 H20 N4 O5 S2 |
| Smiles: | CCN1c2ccccc2c2c(cnc(n2)SCC(Nc2ccc(cc2)C(=O)OC)=O)S1(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2744 |
| logD: | 3.2743 |
| logSw: | -3.705 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.486 |
| InChI Key: | LGVGSGMNXFZSQL-UHFFFAOYSA-N |