N-[2-(azepan-1-yl)ethyl]-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-(azepan-1-yl)ethyl]-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-(azepan-1-yl)ethyl]-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: | F486-1179 |
| Compound Name: | N-[2-(azepan-1-yl)ethyl]-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: | 453.5 |
| Molecular Formula: | C22 H27 N7 O4 |
| Smiles: | Cc1ccc(cc1)N1C(N(C)C(C(c2nc(C(NCCN3CCCCCC3)=O)on2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.439 |
| logD: | 0.8409 |
| logSw: | -2.8494 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.528 |
| InChI Key: | MYWHOBAQSNPZKA-UHFFFAOYSA-N |