3-chloro-N-(2,4,4-trimethylpentan-2-yl)-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-(2,4,4-trimethylpentan-2-yl)-1-benzothiophene-2-carboxamide
3-chloro-N-(2,4,4-trimethylpentan-2-yl)-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y031-0679 |
| Compound Name: | 3-chloro-N-(2,4,4-trimethylpentan-2-yl)-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 323.88 |
| Molecular Formula: | C17 H22 Cl N O S |
| Smiles: | CC(C)(C)CC(C)(C)NC(c1c(c2ccccc2s1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.5915 |
| logD: | 5.5915 |
| logSw: | -5.8204 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.9611 |
| InChI Key: | MYXFDBUQWLQOHW-UHFFFAOYSA-N |