1-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-ethoxy-1H-1,2,4-triazol-1-yl]anilino}-3-tert-butoxypropan-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-tert-butoxypropan-2-ol
1-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-ethoxy-1H-1,2,4-triazol-1-yl]anilino}-3-tert-butoxypropan-2-ol
Compound characteristics
| Compound ID: | V011-6738 |
| Compound Name: | 1-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-ethoxy-1H-1,2,4-triazol-1-yl]anilino}-3-tert-butoxypropan-2-ol |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C24 H30 N4 O5 |
| Salt: | not_available |
| Smiles: | CCOc1nc(c2ccc3c(c2)OCO3)n(c2ccc(cc2)NCC(COC(C)(C)C)O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7471 |
| logD: | 4.747 |
| logSw: | -4.4541 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.768 |
| InChI Key: | WUVOICOBTQPQMC-IBGZPJMESA-N |