ethyl [5-methyl-2-({[4-(methylsulfanyl)phenyl]methyl}amino)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Chemical Structure Depiction of
ethyl [5-methyl-2-({[4-(methylsulfanyl)phenyl]methyl}amino)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
ethyl [5-methyl-2-({[4-(methylsulfanyl)phenyl]methyl}amino)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate
Compound characteristics
| Compound ID: | D298-0547 |
| Compound Name: | ethyl [5-methyl-2-({[4-(methylsulfanyl)phenyl]methyl}amino)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]acetate |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C18 H21 N5 O3 S |
| Smiles: | CCOC(CC1=C(C)Nc2nc(NCc3ccc(cc3)SC)nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5265 |
| logD: | 2.5073 |
| logSw: | -2.8796 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.051 |
| InChI Key: | MNQAIBDWLPSJQM-UHFFFAOYSA-N |