4-{[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]methyl}-N-(3-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-(3-methylphenyl)benzamide
4-{[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]methyl}-N-(3-methylphenyl)benzamide
Compound characteristics
| Compound ID: | D515-0026 |
| Compound Name: | 4-{[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]methyl}-N-(3-methylphenyl)benzamide |
| Molecular Weight: | 388.43 |
| Molecular Formula: | C21 H20 N6 O2 |
| Smiles: | CC1=CC(n2c(N1)nc(NCc1ccc(cc1)C(Nc1cccc(C)c1)=O)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4962 |
| logD: | 2.3096 |
| logSw: | -2.7848 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.465 |
| InChI Key: | DVRHMKLDEKDJKN-UHFFFAOYSA-N |