3,4-dimethyl-N-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Chemical Structure Depiction of
3,4-dimethyl-N-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
3,4-dimethyl-N-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Compound characteristics
| Compound ID: | K410-0230 |
| Compound Name: | 3,4-dimethyl-N-[2-(4-methylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | Cc1ccc(cc1)n1c(c2CS(Cc2n1)(=O)=O)NC(c1ccc(C)c(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4064 |
| logD: | 3.3949 |
| logSw: | -3.8526 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.701 |
| InChI Key: | MFKXEPIESGNYBM-UHFFFAOYSA-N |