ethyl 3-(2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
Chemical Structure Depiction of
ethyl 3-(2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
ethyl 3-(2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
Compound characteristics
| Compound ID: | D298-0534 |
| Compound Name: | ethyl 3-(2-{[(5-bromo-2-methoxyphenyl)methyl]amino}-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate |
| Molecular Weight: | 464.32 |
| Molecular Formula: | C19 H22 Br N5 O4 |
| Smiles: | CCOC(CCC1=C(C)Nc2nc(NCc3cc(ccc3OC)[Br])nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1361 |
| logD: | 3.0929 |
| logSw: | -3.2852 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.681 |
| InChI Key: | JWUQBQLRCGXUDO-UHFFFAOYSA-N |