3-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]propanamide
Chemical Structure Depiction of
3-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]propanamide
3-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]propanamide
Compound characteristics
| Compound ID: | V004-2307 |
| Compound Name: | 3-[1-ethyl-2,5-dioxo-4-(3-phenoxyphenyl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]propanamide |
| Molecular Weight: | 504.59 |
| Molecular Formula: | C28 H32 N4 O5 |
| Smiles: | CCN1C2CN(CCC(NCC3CCCO3)=O)C(C=2C(c2cccc(c2)Oc2ccccc2)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2522 |
| logD: | 2.2472 |
| logSw: | -2.8707 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.313 |
| InChI Key: | PBIMGLGTBJPURX-UHFFFAOYSA-N |