4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
Compound characteristics
| Compound ID: | D341-0270 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine |
| Molecular Weight: | 408.52 |
| Molecular Formula: | C22 H24 N4 O2 S |
| Smiles: | C1CCc2c(C1)c1c(ncnc1s2)N1CCN(CC1)Cc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.557 |
| logD: | 3.9525 |
| logSw: | -4.6647 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.115 |
| InChI Key: | PDZQPIFPVCDYJP-UHFFFAOYSA-N |