2-[(1H-benzimidazol-2-yl)sulfanyl]-N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Chemical Structure Depiction of
2-[(1H-benzimidazol-2-yl)sulfanyl]-N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
2-[(1H-benzimidazol-2-yl)sulfanyl]-N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Compound characteristics
| Compound ID: | 8010-2685 |
| Compound Name: | 2-[(1H-benzimidazol-2-yl)sulfanyl]-N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide |
| Molecular Weight: | 523.63 |
| Molecular Formula: | C24 H18 F N5 O2 S3 |
| Smiles: | C(C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccc(cc1)F)=O)=O)Sc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 5.0013 |
| logD: | 5.0008 |
| logSw: | -4.9092 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.089 |
| InChI Key: | NJQLOJDPUCQIEU-UHFFFAOYSA-N |