N-(2H-1,3-benzodioxol-5-yl)-2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
N-(2H-1,3-benzodioxol-5-yl)-2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
Compound characteristics
| Compound ID: | K841-0239 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C24 H21 N3 O2 S |
| Smiles: | C1CCc2c(C1)c1c(Nc3ccc4c(c3)OCO4)nc(Cc3ccccc3)nc1s2 |
| Stereo: | ACHIRAL |
| logP: | 6.3974 |
| logD: | 6.3925 |
| logSw: | -6.3907 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.222 |
| InChI Key: | YESMTVPWPAPTSS-UHFFFAOYSA-N |