2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-(3-methylbutyl)-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
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-(3-methylbutyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-(3-methylbutyl)-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: | F471-0329 |
| Compound Name: | 2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-4-(3-methylbutyl)-1,5-dioxo-N-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 503.6 |
| Molecular Formula: | C28 H33 N5 O4 |
| Smiles: | CC(C)CCN1C2=NN(CC(c3ccc(C)cc3C)=O)C(N2c2cc(ccc2C1=O)C(NC(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3129 |
| logD: | 4.3129 |
| logSw: | -4.158 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.091 |
| InChI Key: | BEUDEVGSOSUJKK-UHFFFAOYSA-N |