N-(4-fluorophenyl)-2-[4-(4-methylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide
Chemical Structure Depiction of
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide
N-(4-fluorophenyl)-2-[4-(4-methylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide
Compound characteristics
| Compound ID: | V025-5001 |
| Compound Name: | N-(4-fluorophenyl)-2-[4-(4-methylphenyl)-2,5-dioxo-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-3-phenylpropanamide |
| Molecular Weight: | 524.6 |
| Molecular Formula: | C31 H29 F N4 O3 |
| Smiles: | Cc1ccc(cc1)C1C2=C(CN(C(Cc3ccccc3)C(Nc3ccc(cc3)F)=O)C2=O)N(CC=C)C(N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9364 |
| logD: | 4.9174 |
| logSw: | -4.5852 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.897 |
| InChI Key: | KYZTVHYXMFAJKR-UHFFFAOYSA-N |