N-(3,4-dimethoxyphenyl)-2-{4-[(4-methylphenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(3,4-dimethoxyphenyl)-2-{4-[(4-methylphenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}acetamide
N-(3,4-dimethoxyphenyl)-2-{4-[(4-methylphenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | F365-0197 |
| Compound Name: | N-(3,4-dimethoxyphenyl)-2-{4-[(4-methylphenyl)methyl]-1,5-dioxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-2(1H)-yl}acetamide |
| Molecular Weight: | 499.53 |
| Molecular Formula: | C27 H25 N5 O5 |
| Smiles: | Cc1ccc(CN2C3=NN(CC(Nc4ccc(c(c4)OC)OC)=O)C(N3c3ccccc3C2=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.566 |
| logD: | 3.5659 |
| logSw: | -3.8213 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.345 |
| InChI Key: | DSWHSAIBNVBOGS-UHFFFAOYSA-N |