2-({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide
Chemical Structure Depiction of
2-({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide
2-({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide
Compound characteristics
| Compound ID: | Y503-1127 |
| Compound Name: | 2-({5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(prop-2-en-1-yl)acetamide |
| Molecular Weight: | 376.48 |
| Molecular Formula: | C17 H24 N6 O2 S |
| Smiles: | Cc1ccn(Cc2nnc(n2CC2CCCO2)SCC(NCC=C)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.1982 |
| logD: | -0.1985 |
| logSw: | -2.0897 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.651 |
| InChI Key: | QQOWDPOQAZBSFX-CQSZACIVSA-N |