5,7-dimethyl-4-oxo-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
5,7-dimethyl-4-oxo-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
5,7-dimethyl-4-oxo-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D491-2665 |
| Compound Name: | 5,7-dimethyl-4-oxo-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 432.97 |
| Molecular Formula: | C22 H24 N2 O3 S |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1cccs1)N1CCCC1)C(C1=CC(c2c(C)cc(C)cc2O1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9527 |
| logD: | 3.2484 |
| logSw: | -4.0497 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.844 |
| InChI Key: | RSOAQYXDPDPQLA-INIZCTEOSA-N |