3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C201-1370 |
| Compound Name: | 3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 220.29 |
| Molecular Formula: | C11 H12 N2 O S |
| Smiles: | C1CCc2c3C(NC=Nc3sc2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9904 |
| logD: | 1.9893 |
| logSw: | -2.4425 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.089 |
| InChI Key: | SMKVVKXYWCYSDN-UHFFFAOYSA-N |