N-{3-[cyclohexyl(methyl)amino]propyl}-3-(4-methyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazole-5-carboxamide
Chemical Structure Depiction of
N-{3-[cyclohexyl(methyl)amino]propyl}-3-(4-methyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazole-5-carboxamide
N-{3-[cyclohexyl(methyl)amino]propyl}-3-(4-methyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | F486-0441 |
| Compound Name: | N-{3-[cyclohexyl(methyl)amino]propyl}-3-(4-methyl-3,5-dioxo-2-phenyl-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: | [H]c1ccc(cc1)N1C(N(C)C(C(c2nc(C(NCCCN(C)C3CCCCC3)=O)on2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2685 |
| logD: | -0.2563 |
| logSw: | -2.6535 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.252 |
| InChI Key: | VNFUXROOKBSFAF-UHFFFAOYSA-N |