1-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]anilino}-3-(2-methylpropoxy)propan-2-ol
Chemical Structure Depiction of
1-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]anilino}-3-(2-methylpropoxy)propan-2-ol
1-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]anilino}-3-(2-methylpropoxy)propan-2-ol
Compound characteristics
| Compound ID: | V017-7249 |
| Compound Name: | 1-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]anilino}-3-(2-methylpropoxy)propan-2-ol |
| Molecular Weight: | 498.58 |
| Molecular Formula: | C26 H34 N4 O6 |
| Salt: | not_available |
| Smiles: | CCOCCOc1nc(c2ccc3c(c2)OCO3)n(c2ccc(cc2)NCC(COCC(C)C)O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2022 |
| logD: | 4.2021 |
| logSw: | -4.2193 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.761 |
| InChI Key: | FSQNZZXUJUENNN-QFIPXVFZSA-N |