2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(2-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-(2-methoxyphenyl)acetamide
2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide
Compound characteristics
Compound ID: | G071-0005 |
Compound Name: | 2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(2-methoxyphenyl)acetamide |
Molecular Weight: | 518.61 |
Molecular Formula: | C26 H22 N4 O4 S2 |
Smiles: | COc1ccccc1NC(CSc1ncc2c(c3ccccc3N(Cc3ccccc3)S2(=O)=O)n1)=O |
Stereo: | ACHIRAL |
logP: | 4.1471 |
logD: | 4.147 |
logSw: | -4.2529 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 79.248 |
InChI Key: | RHJKKMVNUMWAKO-UHFFFAOYSA-N |