N-(3-chlorophenyl)-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-(3-chlorophenyl)-3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide
N-(3-chlorophenyl)-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: | C741-0429 |
Compound Name: | N-(3-chlorophenyl)-3-{4-[(4-methylphenyl)methyl]-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl}propanamide |
Molecular Weight: | 471.95 |
Molecular Formula: | C26 H22 Cl N5 O2 |
Smiles: | Cc1ccc(CN2C(c3ccccc3n3c(CCC(Nc4cccc(c4)[Cl])=O)nnc23)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 4.3762 |
logD: | 4.3759 |
logSw: | -4.4295 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 62.856 |
InChI Key: | MCEVDHCPUWWABP-UHFFFAOYSA-N |