1-{4-[4-(5-chloro-2-methylphenyl)piperazin-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-(5-chloro-2-methylphenyl)piperazin-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-(5-chloro-2-methylphenyl)piperazin-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: | C200-2936 |
| Compound Name: | 1-{4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-4-oxobutyl}-4-(3-methylbutyl)thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 541.12 |
| Molecular Formula: | C27 H33 Cl N6 O2 S |
| Smiles: | CC(C)CCN1C(c2c(ccs2)n2c(CCCC(N3CCN(CC3)c3cc(ccc3C)[Cl])=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8803 |
| logD: | 4.8803 |
| logSw: | -4.7495 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.326 |
| InChI Key: | VHJBXJPQDPUVGL-UHFFFAOYSA-N |