N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
Compound characteristics
| Compound ID: | D388-0720 |
| Compound Name: | N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide |
| Molecular Weight: | 416.97 |
| Molecular Formula: | C22 H25 Cl N2 O2 S |
| Smiles: | [H]N(CC(c1cccs1)N1CCCCCC1)C(c1c(C)c2cc(ccc2o1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3484 |
| logD: | 5.0807 |
| logSw: | -5.8266 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.516 |
| InChI Key: | PXPUWRAFAHWZMA-SFHVURJKSA-N |