2-(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Chemical Structure Depiction of
2-(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
2-(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8009-7039 |
| Compound Name: | 2-(2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Weight: | 515.01 |
| Molecular Formula: | C27 H15 Cl N2 O3 S2 |
| Smiles: | C(C(c1ccc(cc1)[Cl])=O)Sc1nc2ccc(cc2s1)N1C(c2cccc3cccc(C1=O)c23)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9264 |
| logD: | 5.9264 |
| logSw: | -6.5255 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.299 |
| InChI Key: | MMIXTQOUODDOEC-UHFFFAOYSA-N |