3-{1-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}propanoic acid
Chemical Structure Depiction of
3-{1-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}propanoic acid
3-{1-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}propanoic acid
Compound characteristics
| Compound ID: | V029-1447 |
| Compound Name: | 3-{1-methyl-2,5-dioxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl}propanoic acid |
| Molecular Weight: | 383.32 |
| Molecular Formula: | C17 H16 F3 N3 O4 |
| Salt: | not_available |
| Smiles: | CN1C2CN(CCC(O)=O)C(C=2C(c2ccc(cc2)C(F)(F)F)NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4595 |
| logD: | -2.2362 |
| logSw: | -1.886 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.136 |
| InChI Key: | MXNJRBIYTYHJCX-CQSZACIVSA-N |