N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylprop-2-enamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylprop-2-enamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | Y501-4336 |
| Compound Name: | N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylprop-2-enamide |
| Molecular Weight: | 364.51 |
| Molecular Formula: | C22 H24 N2 O S |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(/C=C/c3ccccc3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0233 |
| logD: | 4.8497 |
| logSw: | -5.5516 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.887 |
| InChI Key: | VSTKXGNJLNFDBJ-MRXNPFEDSA-N |