N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2,6-difluorobenzamide
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]-2,6-difluorobenzamide
N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2,6-difluorobenzamide
Compound characteristics
| Compound ID: | K410-0322 |
| Compound Name: | N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]-2,6-difluorobenzamide |
| Molecular Weight: | 423.82 |
| Molecular Formula: | C18 H12 Cl F2 N3 O3 S |
| Smiles: | C1c2c(CS1(=O)=O)nn(c1cccc(c1)[Cl])c2NC(c1c(cccc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.926 |
| logD: | 2.2212 |
| logSw: | -4.0112 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.701 |
| InChI Key: | HBDDSUXBEUTJQX-UHFFFAOYSA-N |