1-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | E596-0118 |
| Compound Name: | 1-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 464.59 |
| Molecular Formula: | C24 H28 N6 O2 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(CCCc1nnc2N(C)C(c3c(ccs3)n12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9391 |
| logD: | 2.9391 |
| logSw: | -3.3351 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.114 |
| InChI Key: | HEOCXRSZMVIXTN-UHFFFAOYSA-N |