N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl}acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl}acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl}acetamide
Compound characteristics
| Compound ID: | C242-1094 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{5,6-dimethyl-2,4-dioxo-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl}acetamide |
| Molecular Weight: | 505.56 |
| Molecular Formula: | C25 H26 F3 N3 O3 S |
| Smiles: | Cc1c2C(N(C(N(CC(NCCC3CCCCC=3)=O)c2sc1C)=O)c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5845 |
| logD: | 4.5845 |
| logSw: | -4.4475 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.612 |
| InChI Key: | LXBZQMSMIGGMIE-UHFFFAOYSA-N |