N-(2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-({4-methyl-5-[(naphthalen-1-yl)methyl]-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-[(naphthalen-1-yl)methyl]-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-[(naphthalen-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8009-8341 |
| Compound Name: | N-(2-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-2-({4-methyl-5-[(naphthalen-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 616.83 |
| Molecular Formula: | C31 H32 N6 O2 S3 |
| Smiles: | Cn1c(Cc2cccc3ccccc23)nnc1SCC(Nc1ccc2c(c1)sc(n2)SCC(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0471 |
| logD: | 6.0471 |
| logSw: | -6.5862 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.911 |
| InChI Key: | ALNGSNCAWYYPGZ-UHFFFAOYSA-N |