N-[(2-ethoxyphenyl)methyl]-3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-[(2-ethoxyphenyl)methyl]-3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazole-5-carboxamide
N-[(2-ethoxyphenyl)methyl]-3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | F486-0113 |
| Compound Name: | N-[(2-ethoxyphenyl)methyl]-3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 462.46 |
| Molecular Formula: | C23 H22 N6 O5 |
| Smiles: | [H]c1ccc(cc1)N1C(N(CC)C(C(c2nc(C(NCc3ccccc3OCC)=O)on2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0468 |
| logD: | 3.0464 |
| logSw: | -3.3528 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.542 |
| InChI Key: | BNHLIAAAGJEEHN-UHFFFAOYSA-N |