N-benzyl-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-benzyl-3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
N-benzyl-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: | C741-0093 |
| Compound Name: | N-benzyl-3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide |
| Molecular Weight: | 451.53 |
| Molecular Formula: | C27 H25 N5 O2 |
| Smiles: | Cc1ccc(CN2C(c3ccccc3n3c(CCC(NCc4ccccc4)=O)nnc23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3229 |
| logD: | 3.3229 |
| logSw: | -3.8345 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.178 |
| InChI Key: | BWHFAFSLZJPYDA-UHFFFAOYSA-N |