2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-{[2-oxo-2-(2,4,6-trimethylanilino)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-(2,4,6-trimethylanilino)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-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
Compound characteristics
| Compound ID: | 8009-8333 |
| Compound Name: | 2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-{[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide |
| Molecular Weight: | 706.95 |
| Molecular Formula: | C38 H38 N6 O2 S3 |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(CSc1nc2ccc(cc2s1)NC(CSc1nnc(c2ccc(cc2)C(C)(C)C)n1c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 9.0924 |
| logD: | 9.0924 |
| logSw: | -5.6442 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.425 |
| InChI Key: | VFJKUMDOCVDEOK-UHFFFAOYSA-N |