(5-bromo-3-methyl-1-benzofuran-2-yl){4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}methanone--hydrogen chloride (1/1)
Chemical Structure Depiction of
(5-bromo-3-methyl-1-benzofuran-2-yl){4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}methanone--hydrogen chloride (1/1)
(5-bromo-3-methyl-1-benzofuran-2-yl){4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}methanone--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D345-0098 |
| Compound Name: | (5-bromo-3-methyl-1-benzofuran-2-yl){4-[2-(pyridin-2-yl)ethyl]piperazin-1-yl}methanone--hydrogen chloride (1/1) |
| Molecular Weight: | 464.79 |
| Molecular Formula: | C21 H22 Br N3 O2 |
| Salt: | HCl |
| Smiles: | Cc1c2cc(ccc2oc1C(N1CCN(CCc2ccccn2)CC1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.6814 |
| logD: | 3.6616 |
| logSw: | -3.9107 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.474 |
| InChI Key: | XWAQUZWCPMBWGH-UHFFFAOYSA-N |