2-{2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-(4-methoxyphenyl)-3-phenylpropanamide
Chemical Structure Depiction of
2-{2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-(4-methoxyphenyl)-3-phenylpropanamide
2-{2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-(4-methoxyphenyl)-3-phenylpropanamide
Compound characteristics
| Compound ID: | V018-4490 |
| Compound Name: | 2-{2,5-dioxo-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}-N-(4-methoxyphenyl)-3-phenylpropanamide |
| Molecular Weight: | 590.6 |
| Molecular Formula: | C32 H29 F3 N4 O4 |
| Smiles: | COc1ccc(cc1)NC(C(Cc1ccccc1)N1CC2=C(C(c3ccccc3C(F)(F)F)NC(N2CC=C)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.4185 |
| logD: | 5.3301 |
| logSw: | -5.4024 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.441 |
| InChI Key: | BWOZVBGEWYUHRU-UHFFFAOYSA-N |