N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-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-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-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: | C785-1938 |
| Compound Name: | N-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl}-2-(5-ethyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C26 H32 N6 O2 S |
| Smiles: | CCC1=NN(CC(NCCN2CCN(CC2)c2cccc(C)c2C)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3997 |
| logD: | 3.0905 |
| logSw: | -3.7645 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.741 |
| InChI Key: | NTLJWKCWRHPRAR-UHFFFAOYSA-N |