N-(butan-2-yl)-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-(butan-2-yl)-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-(butan-2-yl)-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: | F471-0907 |
| Compound Name: | N-(butan-2-yl)-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: | CCC(C)NC(c1ccc2C(N(C(C)C)C3=NN(Cc4ccc(cc4)N4CCCC4=O)C(N3c2c1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8108 |
| logD: | 2.8108 |
| logSw: | -3.4321 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.87 |
| InChI Key: | IRVUDLGXZOQYOM-SFHVURJKSA-N |