N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}-4-methoxybenzamide
Chemical Structure Depiction of
N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}-4-methoxybenzamide
N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}-4-methoxybenzamide
Compound characteristics
| Compound ID: | 7591-0411 |
| Compound Name: | N-{1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl}-4-methoxybenzamide |
| Molecular Weight: | 548.47 |
| Molecular Formula: | C25 H23 F3 N4 O7 |
| Smiles: | COc1ccc(cc1)C(NC1(C2=C(NC1=O)N(CCc1ccc(c(c1)OC)OC)C(NC2=O)=O)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2825 |
| logD: | -0.9201 |
| logSw: | -3.0628 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 112.996 |
| InChI Key: | FMTBZLXEDWDMRL-DEOSSOPVSA-N |