2-(diethylamino)ethyl 4-[(6-bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoate--hydrogen chloride (1/1)
Chemical Structure Depiction of
2-(diethylamino)ethyl 4-[(6-bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoate--hydrogen chloride (1/1)
2-(diethylamino)ethyl 4-[(6-bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoate--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8017-8457 |
| Compound Name: | 2-(diethylamino)ethyl 4-[(6-bromo-8-methoxy-2-oxo-2H-1-benzopyran-3-carbonyl)amino]benzoate--hydrogen chloride (1/1) |
| Molecular Weight: | 553.84 |
| Molecular Formula: | C24 H25 Br N2 O6 |
| Salt: | HCl |
| Smiles: | CCN(CC)CCOC(c1ccc(cc1)NC(C1=Cc2cc(cc(c2OC1=O)OC)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6926 |
| logD: | 3.7243 |
| logSw: | -4.3653 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.025 |
| InChI Key: | ILDOAFHEGSEOOR-UHFFFAOYSA-N |