N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide
Chemical Structure Depiction of
N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide
N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide
Compound characteristics
Compound ID: | K410-0332 |
Compound Name: | N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3,4-dimethoxybenzamide |
Molecular Weight: | 447.9 |
Molecular Formula: | C20 H18 Cl N3 O5 S |
Smiles: | COc1ccc(cc1OC)C(Nc1c2CS(Cc2nn1c1cccc(c1)[Cl])(=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.2558 |
logD: | 2.253 |
logSw: | -3.448 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.962 |
InChI Key: | BSPQFMWTRHPNLE-UHFFFAOYSA-N |