N-[(2H-1,3-benzodioxol-5-yl)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-[(2H-1,3-benzodioxol-5-yl)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-[(2H-1,3-benzodioxol-5-yl)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: | F486-1123 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)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: | 462.42 |
| Molecular Formula: | C22 H18 N6 O6 |
| Smiles: | Cc1ccc(cc1)N1C(N(C)C(C(c2nc(C(NCc3ccc4c(c3)OCO4)=O)on2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6769 |
| logD: | 2.6769 |
| logSw: | -3.1225 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 115.488 |
| InChI Key: | YATZXUSFSVWYEO-UHFFFAOYSA-N |