5-(azepane-1-sulfonyl)-3-methyl-1-benzofuran-2-carboxylic acid
Chemical Structure Depiction of
5-(azepane-1-sulfonyl)-3-methyl-1-benzofuran-2-carboxylic acid
5-(azepane-1-sulfonyl)-3-methyl-1-benzofuran-2-carboxylic acid
Compound characteristics
| Compound ID: | R152-2065 |
| Compound Name: | 5-(azepane-1-sulfonyl)-3-methyl-1-benzofuran-2-carboxylic acid |
| Molecular Weight: | 337.39 |
| Molecular Formula: | C16 H19 N O5 S |
| Smiles: | Cc1c2cc(ccc2oc1C(O)=O)S(N1CCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9633 |
| logD: | -1.4195 |
| logSw: | -3.0601 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.214 |
| InChI Key: | UVMNDVNSEONHFX-UHFFFAOYSA-N |