2-[4-(2-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)propanamide
Chemical Structure Depiction of
2-[4-(2-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)propanamide
2-[4-(2-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)propanamide
Compound characteristics
| Compound ID: | V026-9347 |
| Compound Name: | 2-[4-(2-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)propanamide |
| Molecular Weight: | 468.91 |
| Molecular Formula: | C24 H22 Cl F N4 O3 |
| Smiles: | CC(C(Nc1ccc(cc1)F)=O)N1CC2=C(C(c3ccccc3[Cl])NC(N2CC=C)=O)C1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3741 |
| logD: | 3.3551 |
| logSw: | -3.5857 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.584 |
| InChI Key: | KVYUGSBXQMVUBG-UHFFFAOYSA-N |