3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)-N-(4-phenoxyphenyl)propanamide
Chemical Structure Depiction of
3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)-N-(4-phenoxyphenyl)propanamide
3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)-N-(4-phenoxyphenyl)propanamide
Compound characteristics
| Compound ID: | F145-0504 |
| Compound Name: | 3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)-N-(4-phenoxyphenyl)propanamide |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C26 H25 N3 O3 S |
| Smiles: | C1CCc2c3C(NC(CCC(Nc4ccc(cc4)Oc4ccccc4)=O)=Nc3sc2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3917 |
| logD: | 5.391 |
| logSw: | -5.5898 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.951 |
| InChI Key: | HNXJLSBZXXANGO-UHFFFAOYSA-N |