methyl 7-benzyl-2-(methylsulfanyl)-6-oxo-6,7-dihydropyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidine-9-carboxylate
Chemical Structure Depiction of
methyl 7-benzyl-2-(methylsulfanyl)-6-oxo-6,7-dihydropyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidine-9-carboxylate
methyl 7-benzyl-2-(methylsulfanyl)-6-oxo-6,7-dihydropyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidine-9-carboxylate
Compound characteristics
| Compound ID: | Y021-1327 |
| Compound Name: | methyl 7-benzyl-2-(methylsulfanyl)-6-oxo-6,7-dihydropyrido[3,4-e][1,2,4]triazolo[1,5-a]pyrimidine-9-carboxylate |
| Molecular Weight: | 381.41 |
| Molecular Formula: | C18 H15 N5 O3 S |
| Smiles: | COC(C1=CN(Cc2ccccc2)C(C2C=Nc3nc(nn3C1=2)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9794 |
| logD: | 1.9794 |
| logSw: | -2.3887 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.047 |
| InChI Key: | PVGGZYTUDFSEKH-UHFFFAOYSA-N |