2-oxo-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-2H-1-benzopyran-3-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-oxo-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-2H-1-benzopyran-3-carboxamide--hydrogen chloride (1/1)
2-oxo-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-2H-1-benzopyran-3-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D388-0528 |
| Compound Name: | 2-oxo-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-2H-1-benzopyran-3-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 404.91 |
| Molecular Formula: | C20 H20 N2 O3 S |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1cccs1)N1CCCC1)C(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3642 |
| logD: | 1.2996 |
| logSw: | -2.825 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.947 |
| InChI Key: | ZANXFPILTYSCOP-INIZCTEOSA-N |