2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Chemical Structure Depiction of
2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Compound characteristics
| Compound ID: | 8010-2687 |
| Compound Name: | 2-({5-[(4-tert-butylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-{[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide |
| Molecular Weight: | 712.89 |
| Molecular Formula: | C36 H33 F N6 O3 S3 |
| Smiles: | CC(C)(C)c1ccc(cc1)OCc1nnc(n1c1ccccc1)SCC(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.0264 |
| logD: | 8.0263 |
| logSw: | -5.67 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.297 |
| InChI Key: | FUBCONZASDGVBM-UHFFFAOYSA-N |