2,6-difluoro-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Chemical Structure Depiction of
2,6-difluoro-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
2,6-difluoro-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Compound characteristics
Compound ID: | K410-0500 |
Compound Name: | 2,6-difluoro-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide |
Molecular Weight: | 434.38 |
Molecular Formula: | C18 H12 F2 N4 O5 S |
Smiles: | C1c2c(CS1(=O)=O)nn(c1ccc(cc1)[N+]([O-])=O)c2NC(c1c(cccc1F)F)=O |
Stereo: | ACHIRAL |
logP: | 2.2171 |
logD: | 2.0506 |
logSw: | -2.7461 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 100.083 |
InChI Key: | CUPMVPDLOHHHKM-UHFFFAOYSA-N |