2-(5-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-oxadiazol-2-yl}pentyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-(5-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-oxadiazol-2-yl}pentyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-(5-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-oxadiazol-2-yl}pentyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | Y010-1452 |
| Compound Name: | 2-(5-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-oxadiazol-2-yl}pentyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | C=CCSc1nnc(CCCCCN2C(c3cccc4cccc(C2=O)c34)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 4.061 |
| logD: | 4.061 |
| logSw: | -4.408 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.867 |
| InChI Key: | HVDXZIBASMBCTQ-UHFFFAOYSA-N |