3-(4-ethoxyphenyl)-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-ethoxyphenyl)-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-ethoxyphenyl)-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: | C258-0589 |
| Compound Name: | 3-(4-ethoxyphenyl)-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: | 558.7 |
| Molecular Formula: | C31 H34 N4 O4 S |
| Smiles: | CCOc1ccc(cc1)N1C(c2c3CCCCCc3sc2N(CC(N2CCN(CC2)c2ccccc2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8911 |
| logD: | 4.891 |
| logSw: | -4.5262 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.135 |
| InChI Key: | XJILPHNQWBTZQD-UHFFFAOYSA-N |