N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-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-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-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: | C785-1937 |
| Compound Name: | N-[3-(4-cyclohexylpiperazin-1-yl)propyl]-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 484.66 |
| Molecular Formula: | C25 H36 N6 O2 S |
| Smiles: | CCC1=NN(CC(NCCCN2CCN(CC2)C2CCCCC2)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4211 |
| logD: | 1.5107 |
| logSw: | -2.7849 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.875 |
| InChI Key: | CCLQWBVPFZKMGT-UHFFFAOYSA-N |