1-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Chemical Structure Depiction of
1-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Compound characteristics
| Compound ID: | F084-0096 |
| Compound Name: | 1-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-oxopropyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 470.98 |
| Molecular Formula: | C22 H23 Cl N6 O2 S |
| Smiles: | Cc1ccc(cc1N1CCN(CC1)C(CCc1nnc2N(C)C(c3c(ccs3)n12)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.7829 |
| logD: | 2.7829 |
| logSw: | -3.3326 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.114 |
| InChI Key: | JETZPVDCSWWJOG-UHFFFAOYSA-N |