N-[3-(azepan-1-yl)propyl]-3-[4-ethyl-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-ethyl-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-ethyl-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: | F486-1016 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-3-[4-ethyl-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: | 481.55 |
| Molecular Formula: | C24 H31 N7 O4 |
| Smiles: | CCN1C(C(c2nc(C(NCCCN3CCCCCC3)=O)on2)=NN(C1=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7807 |
| logD: | 0.21 |
| logSw: | -3.1565 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.487 |
| InChI Key: | MXKNXNIHLSFJRF-UHFFFAOYSA-N |