ethyl ({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
ethyl ({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 3325-0013 |
| Compound Name: | ethyl ({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetate |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C24 H24 N4 O4 S |
| Smiles: | CCOC(CSc1nnc(CCCN2C(c3cccc4cccc(C2=O)c34)=O)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1622 |
| logD: | 3.1621 |
| logSw: | -3.7651 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.491 |
| InChI Key: | MIZZWRMIRJSRRY-UHFFFAOYSA-N |