N-[2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
N-[2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D491-2533 |
| Compound Name: | N-[2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-7,8-dimethyl-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 457.01 |
| Molecular Formula: | C26 H32 N2 O3 |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1ccc(cc1)C(C)(C)C)N(C)C)C(C1=CC(c2ccc(C)c(C)c2O1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4713 |
| logD: | 4.6743 |
| logSw: | -5.4818 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.496 |
| InChI Key: | IHONNFHXPVRCQL-NRFANRHFSA-N |