4-(4-benzylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine--oxalic acid (1/2)
Chemical Structure Depiction of
4-(4-benzylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine--oxalic acid (1/2)
4-(4-benzylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine--oxalic acid (1/2)
Compound characteristics
| Compound ID: | G786-0965 |
| Compound Name: | 4-(4-benzylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidine--oxalic acid (1/2) |
| Molecular Weight: | 558.61 |
| Molecular Formula: | C22 H26 N4 S |
| Salt: | 2HOOCCOOH |
| Smiles: | C1CCc2c3c(ncnc3sc2CC1)N1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1817 |
| logD: | 5.1036 |
| logSw: | -5.3921 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 28.3305 |
| InChI Key: | AAYSHLJKTASVMS-UHFFFAOYSA-N |