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-[2-(pyridin-2-yl)ethyl]acetamide
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-[2-(pyridin-2-yl)ethyl]acetamide
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-[2-(pyridin-2-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | V022-7690 |
| 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-[2-(pyridin-2-yl)ethyl]acetamide |
| Molecular Weight: | 523.59 |
| Molecular Formula: | C30 H29 N5 O4 |
| Salt: | not_available |
| Smiles: | C=CCN1C2CN(CC(NCCc3ccccn3)=O)C(C=2C(c2cccc(c2)Oc2ccccc2)NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8288 |
| logD: | 2.8179 |
| logSw: | -3.4758 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.319 |
| InChI Key: | KLNIURDIRYHOJZ-NDEPHWFRSA-N |