2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C592-4017 |
| Compound Name: | 2-({4-(2-methoxyethyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(6-methyl-1,3-benzothiazol-2-yl)acetamide |
| Molecular Weight: | 456.59 |
| Molecular Formula: | C21 H24 N6 O2 S2 |
| Smiles: | Cc1ccc2c(c1)sc(NC(CSc1nnc(Cc3cccn3C)n1CCOC)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.609 |
| logD: | 3.609 |
| logSw: | -3.6242 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.346 |
| InChI Key: | ONISUNMFLCCDEU-UHFFFAOYSA-N |