N-[2-(azepan-1-yl)ethyl]-8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[2-(azepan-1-yl)ethyl]-8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide
N-[2-(azepan-1-yl)ethyl]-8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | C593-1347 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-8-methyl-4-oxo-4H-thieno[3,2-c][1]benzopyran-2-carboxamide |
| Molecular Weight: | 384.5 |
| Molecular Formula: | C21 H24 N2 O3 S |
| Smiles: | Cc1ccc2c(c1)c1c(cc(C(NCCN3CCCCCC3)=O)s1)C(=O)O2 |
| Stereo: | ACHIRAL |
| logP: | 4.0047 |
| logD: | 2.739 |
| logSw: | -4.1101 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.475 |
| InChI Key: | OCMOKASGPGSIRJ-UHFFFAOYSA-N |