methyl {5-methyl-7-oxo-2-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate
Chemical Structure Depiction of
methyl {5-methyl-7-oxo-2-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate
methyl {5-methyl-7-oxo-2-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate
Compound characteristics
| Compound ID: | D298-0603 |
| Compound Name: | methyl {5-methyl-7-oxo-2-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl}acetate |
| Molecular Weight: | 385.42 |
| Molecular Formula: | C19 H23 N5 O4 |
| Smiles: | CC(C)Oc1ccc(CNc2nc3NC(C)=C(CC(=O)OC)C(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0211 |
| logD: | 2.0019 |
| logSw: | -2.5753 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.273 |
| InChI Key: | VMQYGHKUPGPPAH-UHFFFAOYSA-N |