N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Chemical Structure Depiction of
N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Compound characteristics
| Compound ID: | C656-0641 |
| Compound Name: | N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide |
| Molecular Weight: | 455.27 |
| Molecular Formula: | C19 H15 Br N6 O3 |
| Smiles: | COc1ccc(cc1)n1c2c(C(N(CC(Nc3ccc(cc3)[Br])=O)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.7095 |
| logD: | 2.7095 |
| logSw: | -3.1232 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.851 |
| InChI Key: | AYSAJNGGLQBKLS-UHFFFAOYSA-N |