1-ethyl-6-[4-methyl-1-(4-methylpiperazin-1-yl)-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-[4-methyl-1-(4-methylpiperazin-1-yl)-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-[4-methyl-1-(4-methylpiperazin-1-yl)-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: | V014-6063 |
| Compound Name: | 1-ethyl-6-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-4-[2-(trifluoromethyl)phenyl]-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 521.58 |
| Molecular Formula: | C26 H34 F3 N5 O3 |
| Salt: | not_available |
| Smiles: | CCN1C2CN(C(CC(C)C)C(N3CCN(C)CC3)=O)C(C=2C(c2ccccc2C(F)(F)F)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9729 |
| logD: | 2.7044 |
| logSw: | -3.487 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.949 |
| InChI Key: | VMPUHOUWMGQCTB-UHFFFAOYSA-N |