N-(2-tert-butyl-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-2-iodobenzamide
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-iodobenzamide
N-(2-tert-butyl-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-2-iodobenzamide
Compound characteristics
| Compound ID: | K410-0027 |
| Compound Name: | N-(2-tert-butyl-5,5-dioxo-2,4,5,6-tetrahydro-5lambda~6~-thieno[3,4-c]pyrazol-3-yl)-2-iodobenzamide |
| Molecular Weight: | 459.3 |
| Molecular Formula: | C16 H18 I N3 O3 S |
| Smiles: | CC(C)(C)n1c(c2CS(Cc2n1)(=O)=O)NC(c1ccccc1I)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9891 |
| logD: | 1.9857 |
| logSw: | -2.8761 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.668 |
| InChI Key: | MLYJRWDULOIMGT-UHFFFAOYSA-N |