4-chloro-N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
4-chloro-N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide--hydrogen chloride (1/1)
4-chloro-N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D413-0060 |
| Compound Name: | 4-chloro-N-[7-(4-methoxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 494.38 |
| Molecular Formula: | C25 H20 Cl N5 O2 |
| Salt: | HCl |
| Smiles: | COc1ccc(cc1)C1C=C(c2ccccc2)Nc2nc(NC(c3ccc(cc3)[Cl])=O)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5197 |
| logD: | 5.3241 |
| logSw: | -6.2733 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.428 |
| InChI Key: | OLNCQOWATGHYPM-QFIPXVFZSA-N |