N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}cyclobutanecarboxamide
Chemical Structure Depiction of
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}cyclobutanecarboxamide
N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}cyclobutanecarboxamide
Compound characteristics
| Compound ID: | V015-6083 |
| Compound Name: | N-{4-[5-(2H-1,3-benzodioxol-5-yl)-3-(2-ethoxyethoxy)-1H-1,2,4-triazol-1-yl]phenyl}cyclobutanecarboxamide |
| Molecular Weight: | 450.49 |
| Molecular Formula: | C24 H26 N4 O5 |
| Smiles: | CCOCCOc1nc(c2ccc3c(c2)OCO3)n(c2ccc(cc2)NC(C2CCC2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.4093 |
| logD: | 3.4092 |
| logSw: | -3.6231 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.815 |
| InChI Key: | CBKAWLUQVHDDEK-UHFFFAOYSA-N |