1-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-4-(3-methylbutyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-4-(3-methylbutyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-4-(3-methylbutyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | C200-2896 |
| Compound Name: | 1-[4-(4-benzylpiperazin-1-yl)-4-oxobutyl]-4-(3-methylbutyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 506.67 |
| Molecular Formula: | C27 H34 N6 O2 S |
| Smiles: | CC(C)CCN1C(c2c(ccs2)n2c(CCCC(N3CCN(CC3)Cc3ccccc3)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2787 |
| logD: | 3.2458 |
| logSw: | -3.6721 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.908 |
| InChI Key: | OGRYPKCYPZSFJR-UHFFFAOYSA-N |