4-{[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]methyl}-N-(4-methylphenyl)benzamide
Chemical Structure Depiction of
4-{[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]methyl}-N-(4-methylphenyl)benzamide
4-{[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]methyl}-N-(4-methylphenyl)benzamide
Compound characteristics
Compound ID: | D515-0038 |
Compound Name: | 4-{[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]methyl}-N-(4-methylphenyl)benzamide |
Molecular Weight: | 388.43 |
Molecular Formula: | C21 H20 N6 O2 |
Smiles: | CC1=CC(n2c(N1)nc(NCc1ccc(cc1)C(Nc1ccc(C)cc1)=O)n2)=O |
Stereo: | ACHIRAL |
logP: | 2.5596 |
logD: | 2.3731 |
logSw: | -2.9471 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 85.465 |
InChI Key: | ROJOGAYKBSIFCY-UHFFFAOYSA-N |