ethyl 3-{2-[(6-methyl-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 3-{2-[(6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamido}benzoate
ethyl 3-{2-[(6-methyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G071-0487 |
| Compound Name: | ethyl 3-{2-[(6-methyl-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: | CCOC(c1cccc(c1)NC(CSc1ncc2c(c3ccccc3N(C)S2(=O)=O)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9963 |
| logD: | 3.9963 |
| logSw: | -4.0637 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.346 |
| InChI Key: | IGHNRMALEMFVLM-UHFFFAOYSA-N |