2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3-chlorophenyl)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-chlorophenyl)acetamide
2-[(6-benzyl-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl)sulfanyl]-N-(3-chlorophenyl)acetamide
Compound characteristics
Compound ID: | G071-0009 |
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-chlorophenyl)acetamide |
Molecular Weight: | 523.03 |
Molecular Formula: | C25 H19 Cl N4 O3 S2 |
Smiles: | C(c1ccccc1)N1c2ccccc2c2c(cnc(n2)SCC(Nc2cccc(c2)[Cl])=O)S1(=O)=O |
Stereo: | ACHIRAL |
logP: | 5.1475 |
logD: | 5.1474 |
logSw: | -5.4293 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.316 |
InChI Key: | PQFXUFXGTAASKS-UHFFFAOYSA-N |