N-cyclohexyl-4-methyl-1,5-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclohexyl-4-methyl-1,5-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclohexyl-4-methyl-1,5-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0814 |
| Compound Name: | N-cyclohexyl-4-methyl-1,5-dioxo-2-{[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 514.58 |
| Molecular Formula: | C28 H30 N6 O4 |
| Smiles: | CN1C2=NN(Cc3ccc(cc3)N3CCCC3=O)C(N2c2cc(ccc2C1=O)C(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8488 |
| logD: | 2.8488 |
| logSw: | -3.5463 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.928 |
| InChI Key: | XYGHEFZAXBOCKF-UHFFFAOYSA-N |