N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F470-0652 |
| Compound Name: | N-cyclopentyl-4-[(4-methylphenyl)methyl]-1,5-dioxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-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: | CC(C)NC(CN1C(N2C(=N1)N(Cc1ccc(C)cc1)C(c1ccc(cc12)C(NC1CCCC1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1875 |
| logD: | 3.1875 |
| logSw: | -3.5388 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.157 |
| InChI Key: | SKKXFYHBSKFYDP-UHFFFAOYSA-N |