N-(4-bromophenyl)-2-[3-(3-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-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
N-(4-bromophenyl)-2-[3-(3-methoxyphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Compound characteristics
| Compound ID: | C656-0553 |
| Compound Name: | N-(4-bromophenyl)-2-[3-(3-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: | COc1cccc(c1)n1c2c(C(N(CC(Nc3ccc(cc3)[Br])=O)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.886 |
| logD: | 2.8859 |
| logSw: | -3.4032 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.851 |
| InChI Key: | DQTQWVPLVQIPCD-UHFFFAOYSA-N |