3-(2H-1,3-benzodioxole-5-carbonyl)-1-[(4-chlorophenyl)methyl]-6-methylquinolin-4(1H)-one
Chemical Structure Depiction of
3-(2H-1,3-benzodioxole-5-carbonyl)-1-[(4-chlorophenyl)methyl]-6-methylquinolin-4(1H)-one
3-(2H-1,3-benzodioxole-5-carbonyl)-1-[(4-chlorophenyl)methyl]-6-methylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | C567-0182 |
| Compound Name: | 3-(2H-1,3-benzodioxole-5-carbonyl)-1-[(4-chlorophenyl)methyl]-6-methylquinolin-4(1H)-one |
| Molecular Weight: | 431.87 |
| Molecular Formula: | C25 H18 Cl N O4 |
| Smiles: | Cc1ccc2c(c1)C(C(=CN2Cc1ccc(cc1)[Cl])C(c1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0388 |
| logD: | 5.0388 |
| logSw: | -5.0082 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.145 |
| InChI Key: | BACQURYVVIRMFV-UHFFFAOYSA-N |