N-(3-fluorophenyl)-2-({6-[(4-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-fluorophenyl)-2-({6-[(4-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)acetamide
N-(3-fluorophenyl)-2-({6-[(4-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)acetamide
Compound characteristics
Compound ID: | G071-0086 |
Compound Name: | N-(3-fluorophenyl)-2-({6-[(4-methylphenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)acetamide |
Molecular Weight: | 520.6 |
Molecular Formula: | C26 H21 F N4 O3 S2 |
Smiles: | Cc1ccc(CN2c3ccccc3c3c(cnc(n3)SCC(Nc3cccc(c3)F)=O)S2(=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.9707 |
logD: | 4.9706 |
logSw: | -4.4984 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.316 |
InChI Key: | XQKKTFNBUGNCRE-UHFFFAOYSA-N |