N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-6,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-6,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-6,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D491-5002 |
| Compound Name: | N-[2-(azepan-1-yl)-2-(thiophen-2-yl)ethyl]-6,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 461.02 |
| Molecular Formula: | C24 H28 N2 O3 S |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1cccs1)N1CCCCCC1)C(C1=CC(c2cc(C)cc(C)c2O1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.598 |
| logD: | 4.2178 |
| logSw: | -4.2676 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.493 |
| InChI Key: | LUXUUHWJENHIDX-IBGZPJMESA-N |