ethyl 3-{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}propanoate
Chemical Structure Depiction of
ethyl 3-{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}propanoate
ethyl 3-{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}propanoate
Compound characteristics
| Compound ID: | D298-0606 |
| Compound Name: | ethyl 3-{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}propanoate |
| Molecular Weight: | 413.48 |
| Molecular Formula: | C21 H27 N5 O4 |
| Smiles: | CCOC(CCC1=C(C)Nc2nc(NCc3ccc(cc3)OC(C)C)nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9094 |
| logD: | 2.8662 |
| logSw: | -3.2574 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.853 |
| InChI Key: | PTEPGOYLOXTBOG-UHFFFAOYSA-N |