N-[5-(4-chlorophenyl)-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thiophene-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-[5-(4-chlorophenyl)-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thiophene-2-carboxamide--hydrogen chloride (1/1)
N-[5-(4-chlorophenyl)-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thiophene-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 6103-0077 |
| Compound Name: | N-[5-(4-chlorophenyl)-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]thiophene-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 484.41 |
| Molecular Formula: | C23 H18 Cl N5 O S |
| Salt: | HCl |
| Smiles: | Cc1ccc(cc1)C1C=C(c2ccc(cc2)[Cl])Nc2nc(NC(c3cccs3)=O)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9784 |
| logD: | 5.9711 |
| logSw: | -6.4077 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.903 |
| InChI Key: | WMKSVLFJKVZPBJ-IBGZPJMESA-N |