2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}acetamide
Chemical Structure Depiction of
2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}acetamide
2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}acetamide
Compound characteristics
| Compound ID: | C785-1910 |
| Compound Name: | 2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}acetamide |
| Molecular Weight: | 496.61 |
| Molecular Formula: | C25 H29 F N6 O2 S |
| Smiles: | CCC1=NN(CC(NCCCN2CCN(CC2)c2ccccc2F)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5778 |
| logD: | 2.2466 |
| logSw: | -3.052 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.741 |
| InChI Key: | CKAFNKSAXNKDIL-UHFFFAOYSA-N |