4-(2,4-dichlorophenyl)-1-ethyl-6-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Chemical Structure Depiction of
4-(2,4-dichlorophenyl)-1-ethyl-6-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
4-(2,4-dichlorophenyl)-1-ethyl-6-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
Compound characteristics
| Compound ID: | V004-7214 |
| Compound Name: | 4-(2,4-dichlorophenyl)-1-ethyl-6-(2-oxo-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}ethyl)-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione |
| Molecular Weight: | 596.44 |
| Molecular Formula: | C27 H26 Cl2 F3 N5 O3 |
| Smiles: | CCN1C2CN(CC(N3CCN(CC3)c3cccc(c3)C(F)(F)F)=O)C(C=2C(c2ccc(cc2[Cl])[Cl])NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3673 |
| logD: | 4.3268 |
| logSw: | -4.5055 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.114 |
| InChI Key: | SSVZCMRWXRPVEQ-XMMPIXPASA-N |