2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Chemical Structure Depiction of
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Compound characteristics
| Compound ID: | 8008-4251 |
| Compound Name: | 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide |
| Molecular Weight: | 626.75 |
| Molecular Formula: | C31 H23 F N6 O2 S3 |
| Smiles: | C(C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccccc1F)=O)=O)Sc1nnc(c2ccccc2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.4598 |
| logD: | 6.4597 |
| logSw: | -6.0743 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.123 |
| InChI Key: | IHPIPGSCZKURSG-UHFFFAOYSA-N |