2-(2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-(2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-(2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8009-7037 |
| Compound Name: | 2-(2-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 498.55 |
| Molecular Formula: | C27 H15 F N2 O3 S2 |
| Smiles: | C(C(c1ccc(cc1)F)=O)Sc1nc2ccc(cc2s1)N1C(c2cccc3cccc(C1=O)c23)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3608 |
| logD: | 5.3608 |
| logSw: | -6.4463 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.299 |
| InChI Key: | ZLEYCJBGKIFBGI-UHFFFAOYSA-N |