N-(2-tert-butyl-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-2-methyl-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-tert-butyl-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-2-methyl-3-nitrobenzamide
N-(2-tert-butyl-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-2-methyl-3-nitrobenzamide
Compound characteristics
| Compound ID: | K410-0054 |
| Compound Name: | N-(2-tert-butyl-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-2-methyl-3-nitrobenzamide |
| Molecular Weight: | 392.43 |
| Molecular Formula: | C17 H20 N4 O5 S |
| Smiles: | Cc1c(cccc1[N+]([O-])=O)C(Nc1c2CS(Cc2nn1C(C)(C)C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8307 |
| logD: | 1.8126 |
| logSw: | -2.659 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.749 |
| InChI Key: | PMJSYJNRBGYMSM-UHFFFAOYSA-N |