N-[2-(dimethylamino)ethyl]-2-[4-(3-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-[2-(dimethylamino)ethyl]-2-[4-(3-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-[2-(dimethylamino)ethyl]-2-[4-(3-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: | V023-1531 |
| Compound Name: | N-[2-(dimethylamino)ethyl]-2-[4-(3-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: | 501.63 |
| Molecular Formula: | C29 H35 N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)C1C2=C(CN(C(Cc3ccccc3)C(NCCN(C)C)=O)C2=O)N(CC=C)C(N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2971 |
| logD: | 1.8806 |
| logSw: | -3.4713 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.198 |
| InChI Key: | HMJBVUDRKJMOIS-UHFFFAOYSA-N |