2-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-1,5-dioxo-N-(propan-2-yl)-4-propyl-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]-1,5-dioxo-N-(propan-2-yl)-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
2-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-1,5-dioxo-N-(propan-2-yl)-4-propyl-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0014 |
| Compound Name: | 2-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]-1,5-dioxo-N-(propan-2-yl)-4-propyl-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: | CCCN1C2=NN(C(C)C(c3ccc(C)c(C)c3)=O)C(N2c2cc(ccc2C1=O)C(NC(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2557 |
| logD: | 4.2557 |
| logSw: | -4.1526 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.116 |
| InChI Key: | BRLKFLWKXONRSH-SFHVURJKSA-N |