2-(4-bromo-3-nitro-1H-pyrazol-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Chemical Structure Depiction of
2-(4-bromo-3-nitro-1H-pyrazol-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
2-(4-bromo-3-nitro-1H-pyrazol-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | Y508-2429 |
| Compound Name: | 2-(4-bromo-3-nitro-1H-pyrazol-1-yl)-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide |
| Molecular Weight: | 466.35 |
| Molecular Formula: | C18 H20 Br N5 O3 S |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(Cn3cc(c(n3)[N+]([O-])=O)[Br])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.382 |
| logD: | 3.2138 |
| logSw: | -4.2697 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.755 |
| InChI Key: | PSULHDLLYNBUFU-SNVBAGLBSA-N |