1-ethyl-6-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
1-ethyl-6-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
1-ethyl-6-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V013-8352 |
| Compound Name: | 1-ethyl-6-[1-(4-ethylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 535.61 |
| Molecular Formula: | C27 H36 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(C(CC(C)C)N1CC2=C(C(c3ccccc3C(F)(F)F)NC(N2CC)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3176 |
| logD: | 2.9872 |
| logSw: | -3.7 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.009 |
| InChI Key: | LEEGPYPFEYSMHO-UHFFFAOYSA-N |