N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide
Chemical Structure Depiction of
N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide
N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide
Compound characteristics
Compound ID: | K410-0130 |
Compound Name: | N-[2-(2-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2-nitrobenzamide |
Molecular Weight: | 412.42 |
Molecular Formula: | C19 H16 N4 O5 S |
Smiles: | Cc1ccccc1n1c(c2CS(Cc2n1)(=O)=O)NC(c1ccccc1[N+]([O-])=O)=O |
Stereo: | ACHIRAL |
logP: | 2.2159 |
logD: | 1.3704 |
logSw: | -2.9341 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 99.481 |
InChI Key: | DMIXRURXVNXXCK-UHFFFAOYSA-N |