N-[2-(4-chlorophenyl)-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-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | K410-0404 |
| Compound Name: | N-[2-(4-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-3-(trifluoromethyl)benzamide |
| Molecular Weight: | 455.84 |
| Molecular Formula: | C19 H13 Cl F3 N3 O3 S |
| Smiles: | C1c2c(CS1(=O)=O)nn(c1ccc(cc1)[Cl])c2NC(c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3953 |
| logD: | 3.3862 |
| logSw: | -4.07 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.701 |
| InChI Key: | XPPVXFXDHDRTKL-UHFFFAOYSA-N |