1-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-(2-methylpropyl)thieno[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-(2-methylpropyl)thieno[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-(2-methylpropyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | C200-2884 |
| Compound Name: | 1-{4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-4-oxobutyl}-4-(2-methylpropyl)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)CN1C(c2c(ccs2)n2c(CCCC(N3CCN(CC3)c3cc(C)ccc3C)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4183 |
| logD: | 4.4182 |
| logSw: | -4.3545 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.348 |
| InChI Key: | VNTJDOOFTNYVDX-UHFFFAOYSA-N |