N-[3-(4-ethylpiperazin-1-yl)propyl]-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-[3-(4-ethylpiperazin-1-yl)propyl]-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-[3-(4-ethylpiperazin-1-yl)propyl]-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: | F486-1094 |
| Compound Name: | N-[3-(4-ethylpiperazin-1-yl)propyl]-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: | 482.54 |
| Molecular Formula: | C23 H30 N8 O4 |
| Smiles: | CCN1CCN(CCCNC(c2nc(C3C(N(C)C(N(c4ccc(C)cc4)N=3)=O)=O)no2)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 1.2173 |
| logD: | 0.2691 |
| logSw: | -2.0801 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.734 |
| InChI Key: | XPGDRLNVFVZYBF-UHFFFAOYSA-N |