4-butyl-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
4-butyl-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]cyclohexane-1-carboxamide
4-butyl-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | K410-0825 |
| Compound Name: | 4-butyl-N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]cyclohexane-1-carboxamide |
| Molecular Weight: | 443.61 |
| Molecular Formula: | C24 H33 N3 O3 S |
| Smiles: | CCCCC1CCC(CC1)C(Nc1c2CS(Cc2nn1c1ccc(C)cc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3801 |
| logD: | 5.3788 |
| logSw: | -5.3776 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.592 |
| InChI Key: | AGRQLERVKIHNEO-UHFFFAOYSA-N |