2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-2636 |
| Compound Name: | 2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 341.43 |
| Molecular Formula: | C17 H19 N5 O S |
| Smiles: | Cn1cccc1Cc1nnc(n1Cc1ccccc1)SCC(N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8804 |
| logD: | 1.8804 |
| logSw: | -2.2372 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.503 |
| InChI Key: | NKCAZXALLCFEFD-UHFFFAOYSA-N |