3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide
3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y030-8110 |
| Compound Name: | 3-chloro-N-(cyanomethyl)-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 250.7 |
| Molecular Formula: | C11 H7 Cl N2 O S |
| Smiles: | C(C#N)NC(c1c(c2ccccc2s1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7427 |
| logD: | 2.7427 |
| logSw: | -3.805 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.003 |
| InChI Key: | YPDVJFYBSSAQNS-UHFFFAOYSA-N |