4-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
4-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y509-0042 |
| Compound Name: | 4-bromo-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 421.36 |
| Molecular Formula: | C18 H21 Br N4 O S |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(c3c(cn(C)n3)[Br])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3339 |
| logD: | 1.5992 |
| logSw: | -4.2512 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.456 |
| InChI Key: | OUZHBPHLENRFMZ-SNVBAGLBSA-N |