ethyl 2-{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
ethyl 2-{2-[(6-ethyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamido}benzoate
ethyl 2-{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: | G071-0556 |
| Compound Name: | ethyl 2-{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: | 498.58 |
| Molecular Formula: | C23 H22 N4 O5 S2 |
| Smiles: | CCN1c2ccccc2c2c(cnc(n2)SCC(Nc2ccccc2C(=O)OCC)=O)S1(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4519 |
| logD: | 3.4389 |
| logSw: | -3.7163 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.368 |
| InChI Key: | SJDUKMBDNYPKSP-UHFFFAOYSA-N |