methyl 7-[(2-chlorophenyl)methyl]-6-oxo-2-phenyl-6,7-dihydropyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidine-9-carboxylate
Chemical Structure Depiction of
methyl 7-[(2-chlorophenyl)methyl]-6-oxo-2-phenyl-6,7-dihydropyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidine-9-carboxylate
methyl 7-[(2-chlorophenyl)methyl]-6-oxo-2-phenyl-6,7-dihydropyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidine-9-carboxylate
Compound characteristics
| Compound ID: | Y021-2493 |
| Compound Name: | methyl 7-[(2-chlorophenyl)methyl]-6-oxo-2-phenyl-6,7-dihydropyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidine-9-carboxylate |
| Molecular Weight: | 445.86 |
| Molecular Formula: | C23 H16 Cl N5 O3 |
| Smiles: | COC(C1=CN(Cc2ccccc2[Cl])C(C2C=Nc3nc(c4ccccc4)nn3C1=2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7853 |
| logD: | 3.7853 |
| logSw: | -4.1789 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.054 |
| InChI Key: | OAGRERNITJSIEX-UHFFFAOYSA-N |