methyl [2-({[4-(methylsulfanyl)phenyl]methyl}amino)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
Chemical Structure Depiction of
methyl [2-({[4-(methylsulfanyl)phenyl]methyl}amino)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
methyl [2-({[4-(methylsulfanyl)phenyl]methyl}amino)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
Compound characteristics
| Compound ID: | D298-0347 |
| Compound Name: | methyl [2-({[4-(methylsulfanyl)phenyl]methyl}amino)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate |
| Molecular Weight: | 359.4 |
| Molecular Formula: | C16 H17 N5 O3 S |
| Smiles: | COC(CC1=CC(n2c(N1)nc(NCc1ccc(cc1)SC)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6767 |
| logD: | 1.2985 |
| logSw: | -2.4276 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.56 |
| InChI Key: | HARHODVDJZZSMG-UHFFFAOYSA-N |