2-[4-(4-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-fluorophenyl)-4-methylpentanamide
Chemical Structure Depiction of
2-[4-(4-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-fluorophenyl)-4-methylpentanamide
2-[4-(4-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-fluorophenyl)-4-methylpentanamide
Compound characteristics
| Compound ID: | V010-5837 |
| Compound Name: | 2-[4-(4-chlorophenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-(4-fluorophenyl)-4-methylpentanamide |
| Molecular Weight: | 511 |
| Molecular Formula: | C27 H28 Cl F N4 O3 |
| Smiles: | CC(C)CC(C(Nc1ccc(cc1)F)=O)N1CC2=C(C(c3ccc(cc3)[Cl])NC(N2CC=C)=O)C1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6744 |
| logD: | 4.626 |
| logSw: | -5.0024 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.169 |
| InChI Key: | GSOZIGSVHXDTMO-UHFFFAOYSA-N |