ethyl 3-[5-methyl-7-oxo-2-({[4-(propan-2-yl)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)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)phenyl]methyl}amino)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate
Compound characteristics
| Compound ID: | D298-0123 |
| Compound Name: | ethyl 3-[5-methyl-7-oxo-2-({[4-(propan-2-yl)phenyl]methyl}amino)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanoate |
| Molecular Weight: | 397.48 |
| Molecular Formula: | C21 H27 N5 O3 |
| Smiles: | CCOC(CCC1=C(C)Nc2nc(NCc3ccc(cc3)C(C)C)nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.581 |
| logD: | 3.5378 |
| logSw: | -3.5289 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.051 |
| InChI Key: | VBYIGEMVJYXPPW-UHFFFAOYSA-N |