N-[2-(2,3-dihydro-1,4-benzodioxin-6-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-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine--oxalic acid (1/1)
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | G856-1502 |
| Compound Name: | N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine--oxalic acid (1/1) |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C20 H21 N3 O2 S |
| Salt: | HOOCCOOH |
| Smiles: | C1CCc2c(C1)c1c(NCCc3ccc4c(c3)OCCO4)ncnc1s2 |
| Stereo: | ACHIRAL |
| logP: | 3.5535 |
| logD: | 3.548 |
| logSw: | -4.053 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.612 |
| InChI Key: | WWTDUJQXSIUUBR-UHFFFAOYSA-N |