1-{3-[4-(4-chlorophenyl)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-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
1-{3-[4-(4-chlorophenyl)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: | F084-0094 |
| Compound Name: | 1-{3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-4-methylthieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one |
| Molecular Weight: | 456.95 |
| Molecular Formula: | C21 H21 Cl N6 O2 S |
| Smiles: | CN1C(c2c(ccs2)n2c(CCC(N3CCN(CC3)c3ccc(cc3)[Cl])=O)nnc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2166 |
| logD: | 2.2166 |
| logSw: | -2.8873 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.415 |
| InChI Key: | KPFFGRXOEFEPDR-UHFFFAOYSA-N |