2-[2,5-dioxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]-2-phenylacetamide
Chemical Structure Depiction of
2-[2,5-dioxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]-2-phenylacetamide
2-[2,5-dioxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]-2-phenylacetamide
Compound characteristics
| Compound ID: | V023-1406 |
| Compound Name: | 2-[2,5-dioxo-4-(3-phenoxyphenyl)-1-(prop-2-en-1-yl)-1,2,3,4,5,7-hexahydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl]-N-[(oxolan-2-yl)methyl]-2-phenylacetamide |
| Molecular Weight: | 578.67 |
| Molecular Formula: | C34 H34 N4 O5 |
| Smiles: | C=CCN1C2CN(C(C(NCC3CCCO3)=O)c3ccccc3)C(C=2C(c2cccc(c2)Oc2ccccc2)NC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3332 |
| logD: | 4.3271 |
| logSw: | -4.4512 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.657 |
| InChI Key: | VKAIOFMSZTUDEV-UHFFFAOYSA-N |