2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide
2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C592-2842 |
| Compound Name: | 2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(furan-2-yl)methyl]acetamide |
| Molecular Weight: | 435.55 |
| Molecular Formula: | C23 H25 N5 O2 S |
| Smiles: | Cc1cccc(c1C)n1c(Cc2cccn2C)nnc1SCC(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1366 |
| logD: | 4.1342 |
| logSw: | -4.2406 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.506 |
| InChI Key: | OHBOOMBVLJXZSK-UHFFFAOYSA-N |