N-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-4-methyl-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-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide
N-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | F486-0728 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-3-[2-(4-fluorophenyl)-4-methyl-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 470.85 |
| Molecular Formula: | C21 H16 Cl F N6 O4 |
| Smiles: | CN1C(C(c2nc(C(NCCc3ccc(cc3)[Cl])=O)on2)=NN(C1=O)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8977 |
| logD: | 2.8977 |
| logSw: | -3.6696 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.214 |
| InChI Key: | UHQHMJUHYXLWBO-UHFFFAOYSA-N |