N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-4-nitrobenzamide
Chemical Structure Depiction of
N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-4-nitrobenzamide
N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-4-nitrobenzamide
Compound characteristics
| Compound ID: | D433-1026 |
| Compound Name: | N-[(5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(3-methylphenyl)-4-nitrobenzamide |
| Molecular Weight: | 418.41 |
| Molecular Formula: | C21 H18 N6 O4 |
| Smiles: | CC1=CC(n2c(N1)nc(CN(C(c1ccc(cc1)[N+]([O-])=O)=O)c1cccc(C)c1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7997 |
| logD: | 0.147 |
| logSw: | -3.2689 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.728 |
| InChI Key: | MMWNGMCKHUFVET-UHFFFAOYSA-N |