6-chloro-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
6-chloro-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
6-chloro-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D491-2862 |
| Compound Name: | 6-chloro-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-7-methyl-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 398.89 |
| Molecular Formula: | C22 H23 Cl N2 O3 |
| Smiles: | [H]N(CC(c1ccc(C)cc1)N(C)C)C(C1=CC(c2cc(c(C)cc2O1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8202 |
| logD: | 4.0233 |
| logSw: | -4.9309 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.812 |
| InChI Key: | QRPLYYLUPULQKH-SFHVURJKSA-N |