N-cyclohexyl-3-{2-[(3-methylphenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
Chemical Structure Depiction of
N-cyclohexyl-3-{2-[(3-methylphenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
N-cyclohexyl-3-{2-[(3-methylphenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide
Compound characteristics
Compound ID: | L940-0014 |
Compound Name: | N-cyclohexyl-3-{2-[(3-methylphenyl)methyl]-1,5-dioxo-1,2-dihydro[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl}propanamide |
Molecular Weight: | 459.55 |
Molecular Formula: | C26 H29 N5 O3 |
Smiles: | Cc1cccc(CN2C(N3C(=N2)N(CCC(NC2CCCCC2)=O)C(c2ccccc23)=O)=O)c1 |
Stereo: | ACHIRAL |
logP: | 4.1631 |
logD: | 4.1631 |
logSw: | -4.2617 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 72.11 |
InChI Key: | LUSQYMIQXHMYNP-UHFFFAOYSA-N |