N-(6-methyl-1,3-benzothiazol-2-yl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(6-methyl-1,3-benzothiazol-2-yl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(6-methyl-1,3-benzothiazol-2-yl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-3958 |
| Compound Name: | N-(6-methyl-1,3-benzothiazol-2-yl)-2-({4-methyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C19 H20 N6 O S2 |
| Smiles: | Cc1ccc2c(c1)sc(NC(CSc1nnc(Cc3cccn3C)n1C)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.4212 |
| logD: | 3.4212 |
| logSw: | -3.6838 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.835 |
| InChI Key: | HIJMOFPTQMBBAH-UHFFFAOYSA-N |