2-[3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-[3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
2-[3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C241-1708 |
| Compound Name: | 2-[3-(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl]-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 590.58 |
| Molecular Formula: | C27 H25 F3 N4 O6 S |
| Smiles: | COc1ccc(CCNC(CN2C(c3c(ccs3)N(CC(Nc3cccc(c3)C(F)(F)F)=O)C2=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.3372 |
| logD: | 3.3368 |
| logSw: | -3.776 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.008 |
| InChI Key: | RLRFXVPSHTYJKV-UHFFFAOYSA-N |