2-{[5-(2,4-dichlorophenyl)-4-phenyl-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-{[5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
2-{[5-(2,4-dichlorophenyl)-4-phenyl-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: | 8008-4255 |
| Compound Name: | 2-{[5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-{[2-(2-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide |
| Molecular Weight: | 695.64 |
| Molecular Formula: | C31 H21 Cl2 F N6 O2 S3 |
| Smiles: | C(C(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccccc1F)=O)=O)Sc1nnc(c2ccc(cc2[Cl])[Cl])n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.5168 |
| logD: | 7.5167 |
| logSw: | -6.6932 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.123 |
| InChI Key: | SHFYBZHRXCLSQE-UHFFFAOYSA-N |