ethyl 4-[4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanoyl]piperazine-1-carboxylate
ethyl 4-[4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | C785-2571 |
| Compound Name: | ethyl 4-[4-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)butanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C20 H25 N5 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(CCCN1C(c2cc3c(ccs3)n2C(C)=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.414 |
| logD: | 1.4126 |
| logSw: | -2.2472 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.545 |
| InChI Key: | CBMLAHQEVUMAES-UHFFFAOYSA-N |