N-[(2-bromophenyl)methyl]-2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Chemical Structure Depiction of
N-[(2-bromophenyl)methyl]-2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-[(2-bromophenyl)methyl]-2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-4000 |
| Compound Name: | N-[(2-bromophenyl)methyl]-2-(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 473.39 |
| Molecular Formula: | C21 H21 Br N4 O2 S |
| Smiles: | CCC1=NN(CC(NCc2ccccc2[Br])=O)C(c2cc3c(cc(CC)s3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4152 |
| logD: | 4.4152 |
| logSw: | -4.2435 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.958 |
| InChI Key: | YZVMTQMLJCJVNI-UHFFFAOYSA-N |