N-[(2,5-dimethoxyphenyl)methyl]-3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-[(2,5-dimethoxyphenyl)methyl]-3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide
N-[(2,5-dimethoxyphenyl)methyl]-3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
Compound ID: | F486-1147 |
Compound Name: | N-[(2,5-dimethoxyphenyl)methyl]-3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide |
Molecular Weight: | 478.46 |
Molecular Formula: | C23 H22 N6 O6 |
Smiles: | Cc1ccc(cc1)N1C(N(C)C(C(c2nc(C(NCc3cc(ccc3OC)OC)=O)on2)=N1)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.9639 |
logD: | 2.9638 |
logSw: | -3.3855 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 113.547 |
InChI Key: | FABYPSYGZCDFCL-UHFFFAOYSA-N |