2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{2-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamide
Chemical Structure Depiction of
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{2-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamide
2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{2-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamide
Compound characteristics
| Compound ID: | 8010-2822 |
| Compound Name: | 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-{2-[(2-oxo-2-{[(oxolan-2-yl)methyl]amino}ethyl)sulfanyl]-1,3-benzothiazol-6-yl}acetamide |
| Molecular Weight: | 672.89 |
| Molecular Formula: | C34 H36 N6 O3 S3 |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1c1ccccc1)SCC(Nc1ccc2c(c1)sc(n2)SCC(NCC1CCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.716 |
| logD: | 6.716 |
| logSw: | -5.5935 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.798 |
| InChI Key: | VJZWMYMNQXTSSR-AREMUKBSSA-N |