N-[(furan-2-yl)methyl]-2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-[(furan-2-yl)methyl]-2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C677-0137 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C22 H23 N5 O2 S |
| Smiles: | Cc1ccc(cc1)n1c(Cc2cccn2C)nnc1SCC(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6909 |
| logD: | 3.6909 |
| logSw: | -3.8371 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.807 |
| InChI Key: | XZOMPPORYSDREN-UHFFFAOYSA-N |