N-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine--oxalic acid (1/1)
Chemical Structure Depiction of
N-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine--oxalic acid (1/1)
N-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | G856-1522 |
| Compound Name: | N-benzyl-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine--oxalic acid (1/1) |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C18 H19 N3 S |
| Salt: | HOOCCOOH |
| Smiles: | C1CCc2c3c(NCc4ccccc4)ncnc3sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.7381 |
| logD: | 4.7323 |
| logSw: | -4.9583 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.279 |
| InChI Key: | MAPNATJJVWGEEP-UHFFFAOYSA-N |