N-[(3-bromophenyl)methyl]-2-(5-ethyl-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-[(3-bromophenyl)methyl]-2-(5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-[(3-bromophenyl)methyl]-2-(5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-3120 |
| Compound Name: | N-[(3-bromophenyl)methyl]-2-(5-ethyl-2-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 459.36 |
| Molecular Formula: | C20 H19 Br N4 O2 S |
| Smiles: | CCC1=NN(CC(NCc2cccc(c2)[Br])=O)C(c2cc3c(cc(C)s3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9752 |
| logD: | 3.9752 |
| logSw: | -4.0099 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.958 |
| InChI Key: | SDKKZIUZCCLALO-UHFFFAOYSA-N |