1,5-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-N,4-di(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1,5-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-N,4-di(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1,5-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-N,4-di(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0876 |
| Compound Name: | 1,5-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-N,4-di(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 502.57 |
| Molecular Formula: | C27 H30 N6 O4 |
| Smiles: | CC(C)NC(c1ccc2C(N(C(C)C)C3=NN(Cc4ccc(cc4)N4CCCC4=O)C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6851 |
| logD: | 2.6851 |
| logSw: | -3.3556 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.403 |
| InChI Key: | NESAKXLIVITVLO-UHFFFAOYSA-N |