6-chloro-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
6-chloro-4-oxo-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
6-chloro-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: | D491-2241 |
| Compound Name: | 6-chloro-4-oxo-N-[2-(pyrrolidin-1-yl)-2-(thiophen-2-yl)ethyl]-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 439.36 |
| Molecular Formula: | C20 H19 Cl N2 O3 S |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1cccs1)N1CCCC1)C(C1=CC(c2cc(ccc2O1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4492 |
| logD: | 2.7448 |
| logSw: | -4.0132 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.844 |
| InChI Key: | YXRCQFAOHIRBFT-HNNXBMFYSA-N |