N-[(3-chlorophenyl)methyl]-3-[4-ethyl-2-(4-fluorophenyl)-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-chlorophenyl)methyl]-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide
N-[(3-chlorophenyl)methyl]-3-[4-ethyl-2-(4-fluorophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl]-1,2,4-oxadiazole-5-carboxamide
Compound characteristics
| Compound ID: | F486-0565 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-3-[4-ethyl-2-(4-fluorophenyl)-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: | CCN1C(C(c2nc(C(NCc3cccc(c3)[Cl])=O)on2)=NN(C1=O)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2854 |
| logD: | 3.285 |
| logSw: | -3.6718 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.332 |
| InChI Key: | CDFICDMJIHZGPJ-UHFFFAOYSA-N |