4-butyl-1-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
4-butyl-1-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
4-butyl-1-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F084-0757 |
| Compound Name: | 4-butyl-1-{3-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-oxopropyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C26 H32 N6 O2 S |
| Smiles: | CCCCN1C(c2c(ccs2)n2c(CCC(N3CCN(CC3)c3cc(C)ccc3C)=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1597 |
| logD: | 4.1596 |
| logSw: | -4.0252 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.326 |
| InChI Key: | JGEFUHCLHAQKJX-UHFFFAOYSA-N |