N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-2-(5-methyl-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-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)acetamide
Compound characteristics
| Compound ID: | C785-1657 |
| Compound Name: | N-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]propyl}-2-(5-methyl-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: | CC1=NN(CC(NCCCN2CCN(CC2)c2cc(C)ccc2C)=O)C(c2cc3c(ccs3)n12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2206 |
| logD: | 2.0199 |
| logSw: | -3.3324 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.649 |
| InChI Key: | ROAYYISNXHWHJJ-UHFFFAOYSA-N |