2-{2-[(2-oxo-2-phenylethyl)sulfanyl]-1,3-benzothiazol-6-yl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{2-[(2-oxo-2-phenylethyl)sulfanyl]-1,3-benzothiazol-6-yl}-1H-isoindole-1,3(2H)-dione
2-{2-[(2-oxo-2-phenylethyl)sulfanyl]-1,3-benzothiazol-6-yl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
Compound ID: | 8008-5731 |
Compound Name: | 2-{2-[(2-oxo-2-phenylethyl)sulfanyl]-1,3-benzothiazol-6-yl}-1H-isoindole-1,3(2H)-dione |
Molecular Weight: | 430.5 |
Molecular Formula: | C23 H14 N2 O3 S2 |
Smiles: | C(C(c1ccccc1)=O)Sc1nc2ccc(cc2s1)N1C(c2ccccc2C1=O)=O |
Stereo: | ACHIRAL |
logP: | 4.7644 |
logD: | 4.7644 |
logSw: | -4.8909 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 50.937 |
InChI Key: | QISMBNKCWZFXIO-UHFFFAOYSA-N |