4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
Compound characteristics
| Compound ID: | G818-0073 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C20 H20 N4 O4 S |
| Smiles: | Cc1c2c(ncnc2sc1C(O)=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.0044 |
| logD: | 3.0044 |
| logSw: | -3.0854 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.603 |
| InChI Key: | XOIIFLKLNOZHDS-UHFFFAOYSA-N |