5-bromo-N-(2-tert-butyl-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-2-chlorobenzamide
Chemical Structure Depiction of
5-bromo-N-(2-tert-butyl-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-2-chlorobenzamide
5-bromo-N-(2-tert-butyl-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-2-chlorobenzamide
Compound characteristics
| Compound ID: | K410-0050 |
| Compound Name: | 5-bromo-N-(2-tert-butyl-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-2-chlorobenzamide |
| Molecular Weight: | 446.75 |
| Molecular Formula: | C16 H17 Br Cl N3 O3 S |
| Smiles: | CC(C)(C)n1c(c2CS(Cc2n1)(=O)=O)NC(c1cc(ccc1[Cl])[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0198 |
| logD: | 2.9938 |
| logSw: | -3.7102 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.668 |
| InChI Key: | NTELFLPOMGTTEU-UHFFFAOYSA-N |