2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3-methoxyphenyl)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-methoxyphenyl)acetamide
2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3-methoxyphenyl)acetamide
Compound characteristics
| Compound ID: | G071-0006 |
| 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-methoxyphenyl)acetamide |
| Molecular Weight: | 518.61 |
| Molecular Formula: | C26 H22 N4 O4 S2 |
| Smiles: | COc1cccc(c1)NC(CSc1ncc2c(c3ccccc3N(Cc3ccccc3)S2(=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4604 |
| logD: | 4.4604 |
| logSw: | -4.3131 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.86 |
| InChI Key: | XCQHLRWRUIKYMJ-UHFFFAOYSA-N |