3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide
Chemical Structure Depiction of
3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide
3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide
Compound characteristics
| Compound ID: | Y500-8495 |
| Compound Name: | 3-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide |
| Molecular Weight: | 421.36 |
| Molecular Formula: | C18 H21 Br N4 O S |
| Smiles: | CC(Cn1c(C)c(c(C)n1)[Br])C(Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4693 |
| logD: | 1.7102 |
| logSw: | -3.9668 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.654 |
| InChI Key: | KSNMVWMMIOULDL-JTQLQIEISA-N |