2-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-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-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-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-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-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: | F471-0973 |
| Compound Name: | 2-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-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: | 503.6 |
| Molecular Formula: | C28 H33 N5 O4 |
| Smiles: | CC(C)CNC(c1ccc2C(N(C(C)C)C3=NN(C(C)C(c4ccc(C)c(C)c4)=O)C(N3c2c1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5981 |
| logD: | 4.5981 |
| logSw: | -4.362 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.884 |
| InChI Key: | HKVUGKMEHVFJNW-IBGZPJMESA-N |