N-[(3,4-dichlorophenyl)methyl]-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide
Chemical Structure Depiction of
N-[(3,4-dichlorophenyl)methyl]-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide
N-[(3,4-dichlorophenyl)methyl]-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide
Compound characteristics
| Compound ID: | 8020-8475 |
| Compound Name: | N-[(3,4-dichlorophenyl)methyl]-3-(4,7-dimethoxy-2H-1,3-benzodioxol-5-yl)-3-(4-hydroxy-2-oxo-2H-1-benzopyran-3-yl)propanamide |
| Molecular Weight: | 572.4 |
| Molecular Formula: | C28 H23 Cl2 N O8 |
| Smiles: | COc1cc(C(CC(NCc2ccc(c(c2)[Cl])[Cl])=O)C2=C(c3ccccc3OC2=O)O)c(c2c1OCO2)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.274 |
| logD: | 1.755 |
| logSw: | -4.2673 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.991 |
| InChI Key: | ZNHBBZVDKWZJTL-INIZCTEOSA-N |