{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
Compound characteristics
| Compound ID: | K913-0326 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone |
| Molecular Weight: | 556.69 |
| Molecular Formula: | C30 H32 N6 O3 S |
| Smiles: | Cc1c2c(ncnc2sc1C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)N1CCN(CC1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7795 |
| logD: | 4.5947 |
| logSw: | -4.8105 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.103 |
| InChI Key: | JLMZRMVGPZTRNP-UHFFFAOYSA-N |