2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]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-[(4-methylphenyl)methyl]acetamide
2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | G071-0058 |
| Compound Name: | 2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 516.64 |
| Molecular Formula: | C27 H24 N4 O3 S2 |
| Smiles: | Cc1ccc(CNC(CSc2ncc3c(c4ccccc4N(Cc4ccccc4)S3(=O)=O)n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4987 |
| logD: | 4.4987 |
| logSw: | -4.3063 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.638 |
| InChI Key: | NHJLBRIRTZXLFZ-UHFFFAOYSA-N |