N-[(furan-2-yl)methyl]-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[(furan-2-yl)methyl]-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C592-2743 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | Cn1cccc1Cc1nnc(n1c1ccccc1)SCC(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1459 |
| logD: | 3.1459 |
| logSw: | -3.2838 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.807 |
| InChI Key: | DGMNPPJBLQIQHO-UHFFFAOYSA-N |