N-[(furan-2-yl)methyl]-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-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-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[(furan-2-yl)methyl]-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C677-0063 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-({5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 435.55 |
| Molecular Formula: | C23 H25 N5 O2 S |
| Smiles: | Cn1cccc1Cc1nnc(n1CCc1ccccc1)SCC(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6229 |
| logD: | 3.6229 |
| logSw: | -3.826 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.042 |
| InChI Key: | RXMIKAWXBLXXDA-UHFFFAOYSA-N |