N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-nitrobenzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-nitrobenzamide--hydrogen chloride (1/1)
N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-nitrobenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D413-0109 |
| Compound Name: | N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-nitrobenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 539.38 |
| Molecular Formula: | C25 H19 Cl N6 O4 |
| Salt: | HCl |
| Smiles: | COc1ccc(cc1)C1C=C(c2ccc(cc2)[Cl])Nc2nc(NC(c3cccc(c3)[N+]([O-])=O)=O)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5707 |
| logD: | 5.2922 |
| logSw: | -6.3049 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.81 |
| InChI Key: | ZOQXWUBNBJAOEP-QFIPXVFZSA-N |