methyl {7-oxo-2-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}acetate
Chemical Structure Depiction of
methyl {7-oxo-2-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}acetate
methyl {7-oxo-2-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}acetate
Compound characteristics
| Compound ID: | D298-0377 |
| Compound Name: | methyl {7-oxo-2-[({4-[(propan-2-yl)oxy]phenyl}methyl)amino]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}acetate |
| Molecular Weight: | 371.39 |
| Molecular Formula: | C18 H21 N5 O4 |
| Smiles: | CC(C)Oc1ccc(CNc2nc3NC(CC(=O)OC)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.6239 |
| logD: | 1.2458 |
| logSw: | -2.0936 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.362 |
| InChI Key: | KMOQSCYSHKXFFB-UHFFFAOYSA-N |