methyl [7-oxo-2-({[4-(propan-2-yl)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)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)phenyl]methyl}amino)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate
Compound characteristics
| Compound ID: | D298-0016 |
| Compound Name: | methyl [7-oxo-2-({[4-(propan-2-yl)phenyl]methyl}amino)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]acetate |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C18 H21 N5 O3 |
| Smiles: | CC(C)c1ccc(CNc2nc3NC(CC(=O)OC)=CC(n3n2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2956 |
| logD: | 1.9174 |
| logSw: | -2.9311 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.56 |
| InChI Key: | QIMIUVCVXSMIGF-UHFFFAOYSA-N |