methyl (2-{[(4-chlorophenyl)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-chlorophenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
methyl (2-{[(4-chlorophenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Compound characteristics
Compound ID: | D298-0036 |
Compound Name: | methyl (2-{[(4-chlorophenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate |
Molecular Weight: | 347.76 |
Molecular Formula: | C15 H14 Cl N5 O3 |
Smiles: | COC(CC1=CC(n2c(N1)nc(NCc1ccc(cc1)[Cl])n2)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.5521 |
logD: | 1.174 |
logSw: | -2.687 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 83.56 |
InChI Key: | JYFAVKAKVWERJF-UHFFFAOYSA-N |