4-tert-butyl-N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Chemical Structure Depiction of
4-tert-butyl-N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
4-tert-butyl-N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide
Compound characteristics
| Compound ID: | K410-0317 |
| Compound Name: | 4-tert-butyl-N-[2-(3-chlorophenyl)-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl]benzamide |
| Molecular Weight: | 443.95 |
| Molecular Formula: | C22 H22 Cl N3 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(Nc1c2CS(Cc2nn1c1cccc(c1)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4261 |
| logD: | 4.3976 |
| logSw: | -4.5382 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.701 |
| InChI Key: | CLFSKXUZKOEMOB-UHFFFAOYSA-N |