N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide--hydrogen chloride (1/1)
N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D413-0068 |
| Compound Name: | N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-nitrobenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 504.93 |
| Molecular Formula: | C25 H20 N6 O4 |
| Salt: | HCl |
| Smiles: | COc1ccc(cc1)C1C=C(c2ccccc2)Nc2nc(NC(c3ccc(cc3)[N+]([O-])=O)=O)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8507 |
| logD: | 4.8105 |
| logSw: | -4.6693 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.81 |
| InChI Key: | NQPKDWVKMXHZKV-QFIPXVFZSA-N |