2-[2-(2-ethylanilino)-2-oxoethyl]-4-(2-methylpropyl)-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-(2-ethylanilino)-2-oxoethyl]-4-(2-methylpropyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[2-(2-ethylanilino)-2-oxoethyl]-4-(2-methylpropyl)-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: | F470-0211 |
| Compound Name: | 2-[2-(2-ethylanilino)-2-oxoethyl]-4-(2-methylpropyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 504.59 |
| Molecular Formula: | C27 H32 N6 O4 |
| Smiles: | CCc1ccccc1NC(CN1C(N2C(=N1)N(CC(C)C)C(c1ccc(cc12)C(NC(C)C)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5169 |
| logD: | 3.5169 |
| logSw: | -3.7178 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.317 |
| InChI Key: | BSTVYZTVSSKXTK-UHFFFAOYSA-N |