N-(2-methoxyethyl)-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-methoxyethyl)-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-methoxyethyl)-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: | V023-1507 |
| Compound Name: | N-(2-methoxyethyl)-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: | 488.59 |
| Molecular Formula: | C28 H32 N4 O4 |
| Smiles: | Cc1cccc(c1)C1C2=C(CN(C(Cc3ccccc3)C(NCCOC)=O)C2=O)N(CC=C)C(N1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4542 |
| logD: | 3.4351 |
| logSw: | -3.62 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.675 |
| InChI Key: | KQTSQNHLYAUGHA-UHFFFAOYSA-N |