3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3,4,5-trimethoxyphenyl)propanamide
Chemical Structure Depiction of
3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3,4,5-trimethoxyphenyl)propanamide
3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3,4,5-trimethoxyphenyl)propanamide
Compound characteristics
| Compound ID: | C741-0441 |
| Compound Name: | 3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}-N-(3,4,5-trimethoxyphenyl)propanamide |
| Molecular Weight: | 527.58 |
| Molecular Formula: | C29 H29 N5 O5 |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c(CCC(Nc4cc(c(c(c4)OC)OC)OC)=O)nnc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0032 |
| logD: | 3.0025 |
| logSw: | -3.538 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.834 |
| InChI Key: | KPARKXXDGLYOHV-UHFFFAOYSA-N |