[2-(piperidin-1-yl)-1,3-benzothiazol-6-yl]{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1)
Chemical Structure Depiction of
[2-(piperidin-1-yl)-1,3-benzothiazol-6-yl]{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1)
[2-(piperidin-1-yl)-1,3-benzothiazol-6-yl]{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1)
Compound characteristics
| Compound ID: | C858-0880 |
| Compound Name: | [2-(piperidin-1-yl)-1,3-benzothiazol-6-yl]{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}methanone--oxalic acid (1/1) |
| Molecular Weight: | 600.69 |
| Molecular Formula: | C27 H34 N4 O4 S |
| Salt: | HOOCCOOH |
| Smiles: | COc1ccc(CN2CCN(CC2)C(c2ccc3c(c2)sc(n3)N2CCCCC2)=O)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 4.0402 |
| logD: | 3.8396 |
| logSw: | -4.1426 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.48 |
| InChI Key: | FIINFDOCGZJYHF-UHFFFAOYSA-N |