N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(4-ethylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(4-ethylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(4-ethylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C258-0594 |
| Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[3-(4-ethylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide |
| Molecular Weight: | 562.01 |
| Molecular Formula: | C27 H23 Cl F3 N3 O3 S |
| Smiles: | CCc1ccc(cc1)N1C(c2c3CCCCc3sc2N(CC(Nc2cc(ccc2[Cl])C(F)(F)F)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6182 |
| logD: | 6.5981 |
| logSw: | -6.5541 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.479 |
| InChI Key: | IDOLJFHFYYAYSO-UHFFFAOYSA-N |