N-[(5-bromo-2-methoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
N-[(5-bromo-2-methoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide
Compound characteristics
| Compound ID: | E016-0280 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl]acetamide |
| Molecular Weight: | 498.33 |
| Molecular Formula: | C22 H20 Br N5 O4 |
| Smiles: | COc1ccc(cc1)c1cc2C(N(CC(NCc3cc(ccc3OC)[Br])=O)N=Cn2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9653 |
| logD: | 2.9653 |
| logSw: | -3.4139 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.791 |
| InChI Key: | ZSHXFQJETNMJDS-UHFFFAOYSA-N |