2-[(6-ethyl-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-ethyl-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-ethyl-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: | G071-0576 |
| Compound Name: | 2-[(6-ethyl-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: | 454.57 |
| Molecular Formula: | C22 H22 N4 O3 S2 |
| Smiles: | CCN1c2ccccc2c2c(cnc(n2)SCC(NCc2ccc(C)cc2)=O)S1(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2883 |
| logD: | 3.2883 |
| logSw: | -3.7653 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.634 |
| InChI Key: | YJXKMQGRBKWUKP-UHFFFAOYSA-N |