6-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
6-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
6-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V022-7738 |
| Compound Name: | 6-[2-(4-ethylpiperazin-1-yl)-2-oxo-1-phenylethyl]-1-(prop-2-en-1-yl)-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 567.61 |
| Molecular Formula: | C30 H32 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)C(C(c1ccccc1)N1CC2=C(C(c3ccccc3C(F)(F)F)NC(N2CC=C)=O)C1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6608 |
| logD: | 3.3379 |
| logSw: | -3.8236 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.027 |
| InChI Key: | JSHKFQLOPWNSAJ-UHFFFAOYSA-N |