2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,5-dioxo-N-(propan-2-yl)-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,5-dioxo-N-(propan-2-yl)-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,5-dioxo-N-(propan-2-yl)-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0007 |
| Compound Name: | 2-[2-(4-methoxyphenyl)-2-oxoethyl]-1,5-dioxo-N-(propan-2-yl)-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 477.52 |
| Molecular Formula: | C25 H27 N5 O5 |
| Smiles: | CCCN1C2=NN(CC(c3ccc(cc3)OC)=O)C(N2c2cc(ccc2C1=O)C(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4478 |
| logD: | 2.4478 |
| logSw: | -3.0887 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.635 |
| InChI Key: | KBENQHASXKOUGC-UHFFFAOYSA-N |