N-[(3,4-dichlorophenyl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide
Chemical Structure Depiction of
N-[(3,4-dichlorophenyl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide
N-[(3,4-dichlorophenyl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide
Compound characteristics
| Compound ID: | 8020-8436 |
| Compound Name: | N-[(3,4-dichlorophenyl)methyl]-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)-3-(7-methoxy-2H-1,3-benzodioxol-5-yl)propanamide |
| Molecular Weight: | 542.37 |
| Molecular Formula: | C27 H21 Cl2 N O7 |
| Smiles: | COc1cc(cc2c1OCO2)C(CC(NCc1ccc(c(c1)[Cl])[Cl])=O)C1=C(c2ccccc2OC1=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.594 |
| logD: | 2.075 |
| logSw: | -4.4907 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.59 |
| InChI Key: | MMJQVXNGXYKEGQ-KRWDZBQOSA-N |