N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | K410-0856 |
| Compound Name: | N-[2-(2,4-dimethylphenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 449.45 |
| Molecular Formula: | C21 H18 F3 N3 O3 S |
| Smiles: | Cc1ccc(c(C)c1)n1c(c2CS(Cc2n1)(=O)=O)NC(c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0458 |
| logD: | 4.015 |
| logSw: | -4.2182 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.4 |
| InChI Key: | CUKAOGTVBWFVTC-UHFFFAOYSA-N |