N-[(4-chlorophenyl)methyl]-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-[(4-chlorophenyl)methyl]-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-1766 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 400.88 |
| Molecular Formula: | C19 H17 Cl N4 O2 S |
| Smiles: | CCC1=NN(CC(NCc2ccc(cc2)[Cl])=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2268 |
| logD: | 3.2268 |
| logSw: | -3.5469 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.958 |
| InChI Key: | PQACZGUAVIRTKY-UHFFFAOYSA-N |