5-bromo-2-chloro-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
5-bromo-2-chloro-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
5-bromo-2-chloro-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: | K410-0499 |
Compound Name: | 5-bromo-2-chloro-N-[2-(4-nitrophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide |
Molecular Weight: | 511.74 |
Molecular Formula: | C18 H12 Br Cl N4 O5 S |
Smiles: | C1c2c(CS1(=O)=O)nn(c1ccc(cc1)[N+]([O-])=O)c2NC(c1cc(ccc1[Cl])[Br])=O |
Stereo: | ACHIRAL |
logP: | 3.3528 |
logD: | 3.1988 |
logSw: | -3.9527 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 100.083 |
InChI Key: | KGFGWDGWDNKXBS-UHFFFAOYSA-N |