2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
Chemical Structure Depiction of
2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide
Compound characteristics
| Compound ID: | C592-2745 |
| Compound Name: | 2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)acetamide |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C20 H20 N6 O S2 |
| Smiles: | Cc1csc(NC(CSc2nnc(Cc3cccn3C)n2c2ccccc2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.273 |
| logD: | 3.2681 |
| logSw: | -3.4222 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.589 |
| InChI Key: | LDAGROPDHAGOKV-UHFFFAOYSA-N |