N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-({5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-({5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-({5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8009-8343 |
| Compound Name: | N-{2-[(2-anilino-2-oxoethyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-({5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 666.84 |
| Molecular Formula: | C34 H30 N6 O3 S3 |
| Smiles: | Cc1ccc(cc1C)OCc1nnc(n1c1ccccc1)SCC(Nc1ccc2c(c1)sc(n2)SCC(Nc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0476 |
| logD: | 7.0476 |
| logSw: | -5.5925 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.297 |
| InChI Key: | LLMZMYQFIYDPSE-UHFFFAOYSA-N |