N-[2-(4-chlorophenyl)ethyl]-3-(4-ethyl-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-[2-(4-chlorophenyl)ethyl]-3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazole-5-carboxamide
N-[2-(4-chlorophenyl)ethyl]-3-(4-ethyl-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: | F486-0105 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-3-(4-ethyl-3,5-dioxo-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-1,2,4-oxadiazole-5-carboxamide |
| Molecular Weight: | 466.88 |
| Molecular Formula: | C22 H19 Cl N6 O4 |
| Smiles: | [H]c1ccc(cc1)N1C(N(CC)C(C(c2nc(C(NCCc3ccc(cc3)[Cl])=O)on2)=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9656 |
| logD: | 2.9656 |
| logSw: | -3.6163 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.173 |
| InChI Key: | NBLGRBPLFADBKR-UHFFFAOYSA-N |