ethyl 4-{2-[(6-benzyl-8-chloro-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 4-{2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamido}benzoate
ethyl 4-{2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | G071-0992 |
| Compound Name: | ethyl 4-{2-[(6-benzyl-8-chloro-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 595.1 |
| Molecular Formula: | C28 H23 Cl N4 O5 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(CSc1ncc2c(c3ccc(cc3N(Cc3ccccc3)S2(=O)=O)[Cl])n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7113 |
| logD: | 5.7112 |
| logSw: | -5.8078 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.07 |
| InChI Key: | DLJNUIDLNBJDEM-UHFFFAOYSA-N |