methyl (2-{[(2,3-dimethoxyphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
Chemical Structure Depiction of
methyl (2-{[(2,3-dimethoxyphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
methyl (2-{[(2,3-dimethoxyphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
Compound characteristics
| Compound ID: | D298-0405 |
| Compound Name: | methyl (2-{[(2,3-dimethoxyphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C18 H21 N5 O5 |
| Smiles: | CC1=C(CC(=O)OC)C(n2c(N1)nc(NCc1cccc(c1OC)OC)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4955 |
| logD: | 1.4763 |
| logSw: | -1.9257 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.818 |
| InChI Key: | IZSVADFKOUCCTK-UHFFFAOYSA-N |