N-{3-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-{3-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-{3-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V011-1808 |
| Compound Name: | N-{3-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1H-1,2,4-triazol-1-yl]phenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 502.53 |
| Molecular Formula: | C27 H26 N4 O6 |
| Salt: | not_available |
| Smiles: | CCOCCOc1nc(c2ccc(cc2)OC)n(c2cccc(c2)NC(c2ccc3c(c2)OCO3)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.9914 |
| logD: | 4.9914 |
| logSw: | -4.6627 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.836 |
| InChI Key: | YXSCXOYXQGHQFI-UHFFFAOYSA-N |