N-[(4-fluorophenyl)methyl]-2-{8-[(4-methylanilino)methyl]-7-oxo-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(7H)-yl}acetamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-{8-[(4-methylanilino)methyl]-7-oxo-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(7H)-yl}acetamide
N-[(4-fluorophenyl)methyl]-2-{8-[(4-methylanilino)methyl]-7-oxo-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(7H)-yl}acetamide
Compound characteristics
| Compound ID: | E894-1239 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-{8-[(4-methylanilino)methyl]-7-oxo-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(7H)-yl}acetamide |
| Molecular Weight: | 487.53 |
| Molecular Formula: | C28 H26 F N3 O4 |
| Smiles: | Cc1ccc(cc1)NCC1=Cc2cc3c(cc2N(CC(NCc2ccc(cc2)F)=O)C1=O)OCCO3 |
| Stereo: | ACHIRAL |
| logP: | 3.2166 |
| logD: | 3.2166 |
| logSw: | -3.3029 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.87 |
| InChI Key: | SZEGUMPKLVRZTC-UHFFFAOYSA-N |