N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorobenzamide--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]-4-fluorobenzamide--hydrogen chloride (1/1)
N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorobenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D413-0101 |
| Compound Name: | N-[5-(4-chlorophenyl)-7-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-4-fluorobenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 512.37 |
| Molecular Formula: | C25 H19 Cl F N5 O2 |
| Salt: | HCl |
| Smiles: | COc1ccc(cc1)C1C=C(c2ccc(cc2)[Cl])Nc2nc(NC(c3ccc(cc3)F)=O)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6539 |
| logD: | 5.4583 |
| logSw: | -6.319 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.428 |
| InChI Key: | KONMSABIZCQVPU-QFIPXVFZSA-N |