N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine--oxalic acid (1/1)
Chemical Structure Depiction of
N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine--oxalic acid (1/1)
N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | G786-0939 |
| Compound Name: | N-[2-(2H-1,3-benzodioxol-5-yl)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine--oxalic acid (1/1) |
| Molecular Weight: | 443.48 |
| Molecular Formula: | C19 H19 N3 O2 S |
| Salt: | HOOCCOOH |
| Smiles: | C1CCc2c(C1)c1c(NCCc3ccc4c(c3)OCO4)ncnc1s2 |
| Stereo: | ACHIRAL |
| logP: | 4.414 |
| logD: | 4.4085 |
| logSw: | -4.6503 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.905 |
| InChI Key: | QQQIPUNVNPPRRP-UHFFFAOYSA-N |