2-({4-benzyl-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-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide
2-({4-benzyl-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: | C592-2648 |
| Compound Name: | 2-({4-benzyl-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C22 H27 N5 O2 S |
| Smiles: | Cn1cccc1Cc1nnc(n1Cc1ccccc1)SCC(NCC1CCCO1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1783 |
| logD: | 2.1783 |
| logSw: | -2.443 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.969 |
| InChI Key: | PUCJCWUOQFZDKU-LJQANCHMSA-N |