ethyl [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
ethyl [2-({[4-(methylsulfanyl)phenyl]methyl}amino)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
ethyl [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: | D298-0350 |
| Compound Name: | ethyl [2-({[4-(methylsulfanyl)phenyl]methyl}amino)-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C17 H19 N5 O3 S |
| Smiles: | CCOC(CC1=CC(n2c(N1)nc(NCc1ccc(cc1)SC)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1293 |
| logD: | 1.7512 |
| logSw: | -2.8401 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.14 |
| InChI Key: | KVUAMDOHCSOCQT-UHFFFAOYSA-N |