N-(3-chlorophenyl)-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide
N-(3-chlorophenyl)-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide
Compound characteristics
| Compound ID: | F145-0498 |
| Compound Name: | N-(3-chlorophenyl)-3-(4-oxo-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)propanamide |
| Molecular Weight: | 401.91 |
| Molecular Formula: | C20 H20 Cl N3 O2 S |
| Smiles: | C1CCc2c3C(NC(CCC(Nc4cccc(c4)[Cl])=O)=Nc3sc2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4551 |
| logD: | 4.4545 |
| logSw: | -4.7764 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.204 |
| InChI Key: | AARJSYAETWDEOZ-UHFFFAOYSA-N |