N-(2-methylpropyl)-1,5-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-(2-methylpropyl)-1,5-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(2-methylpropyl)-1,5-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0992 |
| Compound Name: | N-(2-methylpropyl)-1,5-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 516.6 |
| Molecular Formula: | C28 H32 N6 O4 |
| Smiles: | CC(C)CNC(c1ccc2C(N(C(C)C)C3=NN(Cc4ccc(cc4)N4CCCC4=O)C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1163 |
| logD: | 3.1163 |
| logSw: | -3.4891 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.429 |
| InChI Key: | WEYGMIGNJGKGGJ-UHFFFAOYSA-N |