N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetamide
Compound characteristics
| Compound ID: | C241-0799 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetamide |
| Molecular Weight: | 533.53 |
| Molecular Formula: | C25 H22 F3 N3 O5 S |
| Smiles: | COc1ccc(CCNC(CN2C(N(C(c3c2ccs3)=O)c2cccc(c2)C(F)(F)F)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.0423 |
| logD: | 3.0423 |
| logSw: | -3.5477 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.247 |
| InChI Key: | IYXIJMHMJSAPCW-UHFFFAOYSA-N |