ethyl (2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
Chemical Structure Depiction of
ethyl (2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
ethyl (2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate
Compound characteristics
| Compound ID: | D298-0152 |
| Compound Name: | ethyl (2-{[(4-chlorophenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetate |
| Molecular Weight: | 375.81 |
| Molecular Formula: | C17 H18 Cl N5 O3 |
| Smiles: | CCOC(CC1=C(C)Nc2nc(NCc3ccc(cc3)[Cl])nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4019 |
| logD: | 2.3827 |
| logSw: | -3.2792 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.051 |
| InChI Key: | WTVWTOCICRQBFA-UHFFFAOYSA-N |