N-(2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(4-methyl-5-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-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8009-3540 |
| Compound Name: | N-(2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-[(4-methyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 552.74 |
| Molecular Formula: | C26 H28 N6 O2 S3 |
| Smiles: | Cn1c(c2ccccc2)nnc1SCC(Nc1ccc2c(c1)sc(n2)SCC(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1245 |
| logD: | 5.1245 |
| logSw: | -4.9253 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.207 |
| InChI Key: | KLIIKAQZBYZUHM-UHFFFAOYSA-N |