3-(4-bromo-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-1H-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide
3-(4-bromo-1H-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide
Compound characteristics
| Compound ID: | Y502-4738 |
| Compound Name: | 3-(4-bromo-1H-pyrazol-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methylpropanamide |
| Molecular Weight: | 393.3 |
| Molecular Formula: | C16 H17 Br N4 O S |
| Smiles: | CC(Cn1cc(cn1)[Br])C(Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2796 |
| logD: | 1.5205 |
| logSw: | -3.6675 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.878 |
| InChI Key: | KKZIVMQXCKWIDS-JTQLQIEISA-N |