2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(oxolan-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-[(oxolan-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-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C592-2843 |
| Compound Name: | 2-({4-(2,3-dimethylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 439.58 |
| Molecular Formula: | C23 H29 N5 O2 S |
| Smiles: | Cc1cccc(c1C)n1c(Cc2cccn2C)nnc1SCC(NCC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8414 |
| logD: | 2.839 |
| logSw: | -3.1895 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.411 |
| InChI Key: | NQCGJDZBAIMAGJ-LJQANCHMSA-N |