N-(2H-1,3-benzodioxol-5-yl)-2-[8-(3,4-dimethylbenzoyl)-9-oxo-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(9H)-yl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[8-(3,4-dimethylbenzoyl)-9-oxo-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(9H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[8-(3,4-dimethylbenzoyl)-9-oxo-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(9H)-yl]acetamide
Compound characteristics
| Compound ID: | C647-0076 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[8-(3,4-dimethylbenzoyl)-9-oxo-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(9H)-yl]acetamide |
| Molecular Weight: | 512.52 |
| Molecular Formula: | C29 H24 N2 O7 |
| Smiles: | Cc1ccc(cc1C)C(C1=CN(CC(Nc2ccc3c(c2)OCO3)=O)c2cc3c(cc2C1=O)OCCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.875 |
| logD: | 3.875 |
| logSw: | -4.1178 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.118 |
| InChI Key: | ZFRJLBMWSCXXTG-UHFFFAOYSA-N |