2-[2-(benzylamino)-2-oxoethyl]-N-(butan-2-yl)-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-[2-(benzylamino)-2-oxoethyl]-N-(butan-2-yl)-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[2-(benzylamino)-2-oxoethyl]-N-(butan-2-yl)-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F470-0042 |
| Compound Name: | 2-[2-(benzylamino)-2-oxoethyl]-N-(butan-2-yl)-1,5-dioxo-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 490.56 |
| Molecular Formula: | C26 H30 N6 O4 |
| Smiles: | CCCN1C2=NN(CC(NCc3ccccc3)=O)C(N2c2cc(ccc2C1=O)C(NC(C)CC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2689 |
| logD: | 2.2689 |
| logSw: | -3.1787 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.783 |
| InChI Key: | JTHNRZTVSLNNPY-KRWDZBQOSA-N |