1-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-ethoxy-1H-1,2,4-triazol-1-yl]anilino}-3-phenylpropan-2-ol
Chemical Structure Depiction of
1-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-ethoxy-1H-1,2,4-triazol-1-yl]anilino}-3-phenylpropan-2-ol
1-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-ethoxy-1H-1,2,4-triazol-1-yl]anilino}-3-phenylpropan-2-ol
Compound characteristics
| Compound ID: | V015-1211 |
| Compound Name: | 1-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-ethoxy-1H-1,2,4-triazol-1-yl]anilino}-3-phenylpropan-2-ol |
| Molecular Weight: | 458.52 |
| Molecular Formula: | C26 H26 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOc1nc(c2ccc3c(c2)OCO3)n(c2ccc(cc2)NCC(Cc2ccccc2)O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3756 |
| logD: | 5.3756 |
| logSw: | -5.4301 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.783 |
| InChI Key: | NQRCMKXOQPODMI-QFIPXVFZSA-N |