N-[2-(cyclohex-1-en-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-(cyclohex-1-en-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-(cyclohex-1-en-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: | F486-1023 |
| Compound Name: | N-[2-(cyclohex-1-en-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: | 436.47 |
| Molecular Formula: | C22 H24 N6 O4 |
| Smiles: | Cc1ccc(cc1)N1C(N(C)C(C(c2nc(C(NCCC3CCCCC=3)=O)on2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0678 |
| logD: | 3.0678 |
| logSw: | -3.3345 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.406 |
| InChI Key: | UTMKSPIEPFRZIN-UHFFFAOYSA-N |