3-benzyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-imine
Chemical Structure Depiction of
3-benzyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-imine
3-benzyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-imine
Compound characteristics
| Compound ID: | 4072-2713 |
| Compound Name: | 3-benzyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-imine |
| Molecular Weight: | 309.43 |
| Molecular Formula: | C18 H19 N3 S |
| Smiles: | C1CCc2c3C(=N)N(Cc4ccccc4)C=Nc3sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.8384 |
| logD: | -3.1511 |
| logSw: | -4.3067 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.1879 |
| InChI Key: | PMYOKCVWOQCLBY-UHFFFAOYSA-N |