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 |