2-[(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide
Chemical Structure Depiction of
2-[(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide
2-[(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide
Compound characteristics
| Compound ID: | C592-3799 |
| Compound Name: | 2-[(5-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-hydroxyethyl)acetamide |
| Molecular Weight: | 395.52 |
| Molecular Formula: | C15 H17 N5 O2 S3 |
| Smiles: | Cn1c(CSc2nc3ccccc3s2)nnc1SCC(NCCO)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2962 |
| logD: | 1.2961 |
| logSw: | -2.0048 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.349 |
| InChI Key: | JFEGSFVAAZBCAL-UHFFFAOYSA-N |