N-[3-(azepan-1-yl)propyl]-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-[3-(azepan-1-yl)propyl]-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-[3-(azepan-1-yl)propyl]-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: | F486-1225 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-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: | 467.53 |
| Molecular Formula: | C23 H29 N7 O4 |
| Smiles: | Cc1ccc(cc1)N1C(N(C)C(C(c2nc(C(NCCCN3CCCCCC3)=O)on2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5622 |
| logD: | -0.0085 |
| logSw: | -2.907 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.528 |
| InChI Key: | HTCIQGIECRUJME-UHFFFAOYSA-N |