3-(4-chlorophenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
3-(4-chlorophenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
Compound characteristics
| Compound ID: | C258-0567 |
| Compound Name: | 3-(4-chlorophenyl)-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,5,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione |
| Molecular Weight: | 549.09 |
| Molecular Formula: | C29 H29 Cl N4 O3 S |
| Smiles: | C1CCc2c3C(N(C(N(CC(N4CCN(CC4)c4ccccc4)=O)c3sc2CC1)=O)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1169 |
| logD: | 5.1168 |
| logSw: | -5.7868 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.011 |
| InChI Key: | WXKSSBRGMNJQBJ-UHFFFAOYSA-N |