2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | P032-1263 |
| Compound Name: | 2-(7-methyl-3-oxo-5-phenyl[1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide |
| Molecular Weight: | 419.5 |
| Molecular Formula: | C22 H21 N5 O2 S |
| Smiles: | CC1=CC2=NN(CC(NCc3ccc(cc3)SC)=O)C(N2C(c2ccccc2)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2472 |
| logD: | 3.2139 |
| logSw: | -3.4074 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.195 |
| InChI Key: | HIHONOVIJZLMKU-UHFFFAOYSA-N |