{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[5-methyl-4-(4-methylpiperazin-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-methylpiperazin-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-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone
Compound characteristics
| Compound ID: | G394-0075 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]methanone |
| Molecular Weight: | 494.62 |
| Molecular Formula: | C25 H30 N6 O3 S |
| Smiles: | Cc1c2c(ncnc2sc1C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)N1CCN(C)CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.9623 |
| logD: | 2.4978 |
| logSw: | -3.2877 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.319 |
| InChI Key: | KLVLLTCNBRQKSB-UHFFFAOYSA-N |