N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}acetamide
Compound characteristics
| Compound ID: | C241-1642 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-dihydrothieno[3,2-d]pyrimidin-3(2H)-yl}acetamide |
| Molecular Weight: | 591.69 |
| Molecular Formula: | C30 H33 N5 O6 S |
| Smiles: | COc1ccc(CCNC(CN2C(c3c(ccs3)N(CC(N3CCN(CC3)c3ccccc3)=O)C2=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.8576 |
| logD: | 1.8576 |
| logSw: | -2.7129 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.512 |
| InChI Key: | JTEDVNFIPPZBEN-UHFFFAOYSA-N |