2-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-(3-methylbutyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-(3-methylbutyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-(3-methylbutyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0332 |
| Compound Name: | 2-[2-(4-ethoxyphenyl)-2-oxoethyl]-4-(3-methylbutyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 519.6 |
| Molecular Formula: | C28 H33 N5 O5 |
| Smiles: | CCOc1ccc(cc1)C(CN1C(N2C(=N1)N(CCC(C)C)C(c1ccc(cc12)C(NC(C)C)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6237 |
| logD: | 3.6237 |
| logSw: | -3.8871 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.215 |
| InChI Key: | ZUBNSNQTURLLOI-UHFFFAOYSA-N |