7-bromo-N-[2-(dimethylamino)-2-phenylethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
7-bromo-N-[2-(dimethylamino)-2-phenylethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
7-bromo-N-[2-(dimethylamino)-2-phenylethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D491-2350 |
| Compound Name: | 7-bromo-N-[2-(dimethylamino)-2-phenylethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 451.75 |
| Molecular Formula: | C20 H19 Br N2 O3 |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1ccccc1)N(C)C)C(C1=CC(c2ccc(cc2O1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5552 |
| logD: | 3.1544 |
| logSw: | -3.9279 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.812 |
| InChI Key: | BTLFVVBJKBAVCF-INIZCTEOSA-N |