2-methyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-methyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
2-methyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | C066-5593 |
| Compound Name: | 2-methyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 234.32 |
| Molecular Formula: | C12 H14 N2 O S |
| Smiles: | CC1NC(c2c3CCCCCc3sc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6913 |
| logD: | 2.6911 |
| logSw: | -2.9132 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.988 |
| InChI Key: | JDHCOFMQBOZSMO-UHFFFAOYSA-N |