N-(2-{[2-(cyclohexylamino)-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-(cyclohexylamino)-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-(cyclohexylamino)-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: | 8009-8349 |
| Compound Name: | N-(2-{[2-(cyclohexylamino)-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: | 672.89 |
| Molecular Formula: | C34 H36 N6 O3 S3 |
| Smiles: | Cc1ccc(cc1C)OCc1nnc(n1c1ccccc1)SCC(Nc1ccc2c(c1)sc(n2)SCC(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1352 |
| logD: | 7.1352 |
| logSw: | -5.4665 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.344 |
| InChI Key: | QANWQLOHICAWIM-UHFFFAOYSA-N |