N-{4-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{4-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{4-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V015-5058 |
| Compound Name: | N-{4-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 486.53 |
| Molecular Formula: | C27 H26 N4 O5 |
| Salt: | not_available |
| Smiles: | CCOCCOc1nc(c2ccc(C)cc2)n(c2ccc(cc2)NC(c2ccc3c(c2)OCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2014 |
| logD: | 5.2014 |
| logSw: | -5.0283 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.292 |
| InChI Key: | ZUXFBAMIQNQZNJ-UHFFFAOYSA-N |