N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enamide
Compound characteristics
| Compound ID: | Y500-7933 |
| Compound Name: | N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enamide |
| Molecular Weight: | 368.5 |
| Molecular Formula: | C20 H24 N4 O S |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(/C=C/c3cnn(C)c3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9923 |
| logD: | 2.7145 |
| logSw: | -4.2067 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.696 |
| InChI Key: | UKRBLJSMRSLHJF-CQSZACIVSA-N |