4-(3-methylbutyl)-2-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
4-(3-methylbutyl)-2-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
4-(3-methylbutyl)-2-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F470-0395 |
| Compound Name: | 4-(3-methylbutyl)-2-(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 518.62 |
| Molecular Formula: | C28 H34 N6 O4 |
| Smiles: | CC(C)CCN1C2=NN(CC(NCc3ccc(C)cc3)=O)C(N2c2cc(ccc2C1=O)C(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3558 |
| logD: | 3.3558 |
| logSw: | -3.6047 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.316 |
| InChI Key: | RHCZYXCJBGAHQU-UHFFFAOYSA-N |