N-[2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-6-chloro-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
N-[2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-6-chloro-4-oxo-4H-1-benzopyran-2-carboxamide
N-[2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-6-chloro-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D491-2257 |
| Compound Name: | N-[2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-6-chloro-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 426.94 |
| Molecular Formula: | C24 H27 Cl N2 O3 |
| Smiles: | [H]N(CC(c1ccc(cc1)C(C)(C)C)N(C)C)C(C1=CC(c2cc(ccc2O1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1669 |
| logD: | 4.37 |
| logSw: | -5.4736 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.812 |
| InChI Key: | KTNHDXXUAJULNW-IBGZPJMESA-N |