N-[(2-methoxyphenyl)methyl]-3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
N-[(2-methoxyphenyl)methyl]-3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
Compound characteristics
| Compound ID: | C741-0102 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C28 H27 N5 O3 |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c(CCC(NCc4ccccc4OC)=O)nnc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5442 |
| logD: | 3.5442 |
| logSw: | -3.7378 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.808 |
| InChI Key: | KHTGYYLXKKDQSL-UHFFFAOYSA-N |