3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N-[(thiophen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N-[(thiophen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N-[(thiophen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
Compound ID: | F486-0101 |
Compound Name: | 3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N-[(thiophen-2-yl)methyl]-1,2,4-oxadiazole-5-carboxamide |
Molecular Weight: | 424.44 |
Molecular Formula: | C19 H16 N6 O4 S |
Smiles: | [H]c1ccc(cc1)N1C(N(CC)C(C(c2nc(C(NCc3cccs3)=O)on2)=N1)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.4124 |
logD: | 2.4124 |
logSw: | -2.7017 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 99.35 |
InChI Key: | JTRSREDSPWCTME-UHFFFAOYSA-N |