N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-phenylprop-2-enamide--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]-3-phenylprop-2-enamide--hydrogen chloride (1/1)
N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-phenylprop-2-enamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D413-0071 |
| Compound Name: | N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-3-phenylprop-2-enamide--hydrogen chloride (1/1) |
| Molecular Weight: | 485.97 |
| Molecular Formula: | C27 H23 N5 O2 |
| Salt: | HCl |
| Smiles: | COc1ccc(cc1)C1C=C(c2ccccc2)Nc2nc(NC(/C=C/c3ccccc3)=O)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7025 |
| logD: | 5.7011 |
| logSw: | -5.7097 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.215 |
| InChI Key: | MLRJEYFTMJFIKD-JYFCICGUSA-N |