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}-4-methyl-N-(3-methylbutyl)pentanamide
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}-4-methyl-N-(3-methylbutyl)pentanamide
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}-4-methyl-N-(3-methylbutyl)pentanamide
Compound characteristics
| Compound ID: | V025-5730 |
| 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}-4-methyl-N-(3-methylbutyl)pentanamide |
| Molecular Weight: | 520.6 |
| Molecular Formula: | C27 H35 F3 N4 O3 |
| Smiles: | CC(C)CCNC(C(CC(C)C)N1CC2=C(C(c3ccccc3C(F)(F)F)NC(N2CC=C)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8698 |
| logD: | 4.7814 |
| logSw: | -4.3915 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.604 |
| InChI Key: | JIEVPZCWINENJU-UHFFFAOYSA-N |