4-butoxy-N-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Chemical Structure Depiction of
4-butoxy-N-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
4-butoxy-N-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Compound characteristics
Compound ID: | K410-0585 |
Compound Name: | 4-butoxy-N-[2-(4-fluorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide |
Molecular Weight: | 443.5 |
Molecular Formula: | C22 H22 F N3 O4 S |
Smiles: | CCCCOc1ccc(cc1)C(Nc1c2CS(Cc2nn1c1ccc(cc1)F)(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 3.4585 |
logD: | 3.4572 |
logSw: | -3.7999 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 74.119 |
InChI Key: | GHUYWEPJQVDLRD-UHFFFAOYSA-N |