5-ethyl-7-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Chemical Structure Depiction of
5-ethyl-7-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
5-ethyl-7-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one
Compound characteristics
| Compound ID: | C785-2008 |
| Compound Name: | 5-ethyl-7-{2-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]ethyl}thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8(7H)-one |
| Molecular Weight: | 423.5 |
| Molecular Formula: | C20 H21 N7 O2 S |
| Smiles: | CCC1=NN(CC(N2CCN(CC2)c2ncccn2)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8039 |
| logD: | 1.8039 |
| logSw: | -2.4444 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 69.501 |
| InChI Key: | AKMJZNAEFJKIIU-UHFFFAOYSA-N |