N-[2-(azepan-1-yl)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-(azepan-1-yl)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-(azepan-1-yl)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: | F486-0783 |
| Compound Name: | N-[2-(azepan-1-yl)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: | 457.46 |
| Molecular Formula: | C21 H24 F N7 O4 |
| Smiles: | CN1C(C(c2nc(C(NCCN3CCCCCC3)=O)on2)=NN(C1=O)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0447 |
| logD: | 0.4466 |
| logSw: | -2.7054 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.528 |
| InChI Key: | DSYOVBALDPLCGK-UHFFFAOYSA-N |