2-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Chemical Structure Depiction of
2-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
2-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Compound characteristics
| Compound ID: | F145-0568 |
| Compound Name: | 2-{3-[4-(3-chlorophenyl)piperazin-1-yl]-3-oxopropyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one |
| Molecular Weight: | 471.02 |
| Molecular Formula: | C24 H27 Cl N4 O2 S |
| Smiles: | C1CCc2c3C(NC(CCC(N4CCN(CC4)c4cccc(c4)[Cl])=O)=Nc3sc2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2135 |
| logD: | 4.2129 |
| logSw: | -4.7967 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.707 |
| InChI Key: | BJKFMRGJFYIYEO-UHFFFAOYSA-N |