2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G071-0022 |
| Compound Name: | 2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 548.64 |
| Molecular Formula: | C27 H24 N4 O5 S2 |
| Smiles: | COc1cc(cc(c1)OC)NC(CSc1ncc2c(c3ccccc3N(Cc3ccccc3)S2(=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.533 |
| logD: | 4.5329 |
| logSw: | -4.2897 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.403 |
| InChI Key: | XULAJWPJXDLUPA-UHFFFAOYSA-N |