methyl (2-{[(3-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-{[(3-chlorophenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
methyl (2-{[(3-chlorophenyl)methyl]amino}-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl)acetate
Compound characteristics
| Compound ID: | D298-0086 |
| Compound Name: | methyl (2-{[(3-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(NCc1cccc(c1)[Cl])n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6547 |
| logD: | 1.2766 |
| logSw: | -2.5741 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.56 |
| InChI Key: | GZXRIOXCUFAXJX-UHFFFAOYSA-N |