N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-3430 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-2-(2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 461.34 |
| Molecular Formula: | C19 H17 Br N4 O3 S |
| Smiles: | Cc1cc2c(cc3C(N(CC(NCc4cc(ccc4OC)[Br])=O)N=Cn23)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.1384 |
| logD: | 3.1384 |
| logSw: | -3.3129 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.804 |
| InChI Key: | ZIDKSLVJQPGCED-UHFFFAOYSA-N |