N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dichloroacetamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dichloroacetamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dichloroacetamide
Compound characteristics
| Compound ID: | Y501-4348 |
| Compound Name: | N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2-dichloroacetamide |
| Molecular Weight: | 345.29 |
| Molecular Formula: | C15 H18 Cl2 N2 O S |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(C([Cl])[Cl])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7674 |
| logD: | 0.6628 |
| logSw: | -4.5159 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.372 |
| InChI Key: | HKQZVUZRKMDMRL-MRVPVSSYSA-N |