(3-chloro-6-methyl-1-benzothiophen-2-yl){4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}methanone--hydrogen chloride (1/1)
Chemical Structure Depiction of
(3-chloro-6-methyl-1-benzothiophen-2-yl){4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}methanone--hydrogen chloride (1/1)
(3-chloro-6-methyl-1-benzothiophen-2-yl){4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}methanone--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D339-0586 |
| Compound Name: | (3-chloro-6-methyl-1-benzothiophen-2-yl){4-[2-(pyridin-4-yl)ethyl]piperazin-1-yl}methanone--hydrogen chloride (1/1) |
| Molecular Weight: | 436.4 |
| Molecular Formula: | C21 H22 Cl N3 O S |
| Salt: | HCl |
| Smiles: | Cc1ccc2c(c(C(N3CCN(CCc4ccncc4)CC3)=O)sc2c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.8119 |
| logD: | 3.7826 |
| logSw: | -4.4619 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.5806 |
| InChI Key: | WSMLIOLTLRZVQA-UHFFFAOYSA-N |