4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
Chemical Structure Depiction of
4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide
Compound characteristics
| Compound ID: | 5454-0139 |
| Compound Name: | 4-nitro-N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)benzamide |
| Molecular Weight: | 378.35 |
| Molecular Formula: | C18 H14 N6 O4 |
| Smiles: | C1C(c2ccccc2)n2c(NC1=O)nc(NC(c1ccc(cc1)[N+]([O-])=O)=O)n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2874 |
| logD: | 2.2244 |
| logSw: | -2.8592 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.917 |
| InChI Key: | DDFCLZBFMRRASF-AWEZNQCLSA-N |