ethyl 4-[(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetyl]piperazine-1-carboxylate
ethyl 4-[(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C785-3733 |
| Compound Name: | ethyl 4-[(2,5-diethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetyl]piperazine-1-carboxylate |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C21 H27 N5 O4 S |
| Smiles: | CCC1=NN(CC(N2CCN(CC2)C(=O)OCC)=O)C(c2cc3c(cc(CC)s3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4529 |
| logD: | 2.4528 |
| logSw: | -2.5965 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 70.659 |
| InChI Key: | YOQOGWZWCJJBCS-UHFFFAOYSA-N |