2-({9-chloro-6-[(2-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2,5-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-({9-chloro-6-[(2-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2,5-dimethylphenyl)acetamide
2-({9-chloro-6-[(2-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2,5-dimethylphenyl)acetamide
Compound characteristics
Compound ID: | G071-1486 |
Compound Name: | 2-({9-chloro-6-[(2-fluorophenyl)methyl]-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl}sulfanyl)-N-(2,5-dimethylphenyl)acetamide |
Molecular Weight: | 569.08 |
Molecular Formula: | C27 H22 Cl F N4 O3 S2 |
Smiles: | Cc1ccc(C)c(c1)NC(CSc1ncc2c(c3cc(ccc3N(Cc3ccccc3F)S2(=O)=O)[Cl])n1)=O |
Stereo: | ACHIRAL |
logP: | 5.4802 |
logD: | 5.4802 |
logSw: | -5.7863 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 71.618 |
InChI Key: | TWZUKRRBYQYRRH-UHFFFAOYSA-N |