2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1,3-benzothiazol-6-yl]acetamide
Chemical Structure Depiction of
2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1,3-benzothiazol-6-yl]acetamide
2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1,3-benzothiazol-6-yl]acetamide
Compound characteristics
| Compound ID: | 8009-2894 |
| Compound Name: | 2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[2-({2-oxo-2-[4-(propan-2-yl)anilino]ethyl}sulfanyl)-1,3-benzothiazol-6-yl]acetamide |
| Molecular Weight: | 588.77 |
| Molecular Formula: | C29 H28 N6 O2 S3 |
| Smiles: | CC(C)c1ccc(cc1)NC(CSc1nc2ccc(cc2s1)NC(CSc1nnc(c2ccccc2)n1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5667 |
| logD: | 6.5667 |
| logSw: | -5.6066 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.159 |
| InChI Key: | LANVNCBGWDQMDR-UHFFFAOYSA-N |