2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-N-(2-methylpropyl)-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-N-(2-methylpropyl)-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-N-(2-methylpropyl)-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0970 |
| Compound Name: | 2-[2-(2,5-dimethylphenyl)-2-oxoethyl]-N-(2-methylpropyl)-1,5-dioxo-4-(propan-2-yl)-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 489.57 |
| Molecular Formula: | C27 H31 N5 O4 |
| Smiles: | CC(C)CNC(c1ccc2C(N(C(C)C)C3=NN(CC(c4cc(C)ccc4C)=O)C(N3c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7385 |
| logD: | 3.7385 |
| logSw: | -4.0525 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.859 |
| InChI Key: | WIVLSIVGIOKQPV-UHFFFAOYSA-N |