2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)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-(3,4-dimethylphenyl)acetamide
2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | G071-0024 |
| Compound Name: | 2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3,4-dimethylphenyl)acetamide |
| Molecular Weight: | 516.64 |
| Molecular Formula: | C27 H24 N4 O3 S2 |
| Smiles: | Cc1ccc(cc1C)NC(CSc1ncc2c(c3ccccc3N(Cc3ccccc3)S2(=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3814 |
| logD: | 5.3814 |
| logSw: | -5.2567 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.316 |
| InChI Key: | KNTSDRZIGVUEKJ-UHFFFAOYSA-N |