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]-N-[2-(pyridin-2-yl)ethyl]acetamide
Chemical Structure Depiction of
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]-N-[2-(pyridin-2-yl)ethyl]acetamide
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]-N-[2-(pyridin-2-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | V018-2784 |
| Compound Name: | 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]-N-[2-(pyridin-2-yl)ethyl]acetamide |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C25 H27 N5 O3 |
| Salt: | not_available |
| Smiles: | Cc1cccc(c1)C1C2=C(CN(CC(NCCc3ccccn3)=O)C2=O)N(CC=C)C(N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7241 |
| logD: | 1.7003 |
| logSw: | -2.2409 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.571 |
| InChI Key: | OHWNQUBWSJCGRS-QHCPKHFHSA-N |