N-benzyl-2-{8-[(4-methoxyanilino)methyl]-7-oxo-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(7H)-yl}acetamide
Chemical Structure Depiction of
N-benzyl-2-{8-[(4-methoxyanilino)methyl]-7-oxo-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(7H)-yl}acetamide
N-benzyl-2-{8-[(4-methoxyanilino)methyl]-7-oxo-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(7H)-yl}acetamide
Compound characteristics
| Compound ID: | E894-1355 |
| Compound Name: | N-benzyl-2-{8-[(4-methoxyanilino)methyl]-7-oxo-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-6(7H)-yl}acetamide |
| Molecular Weight: | 485.54 |
| Molecular Formula: | C28 H27 N3 O5 |
| Smiles: | COc1ccc(cc1)NCC1=Cc2cc3c(cc2N(CC(NCc2ccccc2)=O)C1=O)OCCO3 |
| Stereo: | ACHIRAL |
| logP: | 2.7465 |
| logD: | 2.7465 |
| logSw: | -3.4242 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.414 |
| InChI Key: | YSTIQDYXOKITAJ-UHFFFAOYSA-N |