4-tert-butyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Chemical Structure Depiction of
4-tert-butyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
4-tert-butyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide
Compound characteristics
| Compound ID: | 2043-0711 |
| Compound Name: | 4-tert-butyl-N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzamide |
| Molecular Weight: | 352.5 |
| Molecular Formula: | C21 H24 N2 O S |
| Smiles: | CC1CCc2c(C#N)c(NC(c3ccc(cc3)C(C)(C)C)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9056 |
| logD: | 3.1997 |
| logSw: | -5.576 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.101 |
| InChI Key: | ZKWDKRJPRWGQIC-CYBMUJFWSA-N |