2-[4-(2,4-dimethylphenyl)-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-[(pyridin-3-yl)methyl]acetamide
Chemical Structure Depiction of
2-[4-(2,4-dimethylphenyl)-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-[(pyridin-3-yl)methyl]acetamide
2-[4-(2,4-dimethylphenyl)-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-[(pyridin-3-yl)methyl]acetamide
Compound characteristics
| Compound ID: | V006-7185 |
| Compound Name: | 2-[4-(2,4-dimethylphenyl)-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-[(pyridin-3-yl)methyl]acetamide |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C25 H27 N5 O3 |
| Smiles: | Cc1ccc(C2C3=C(CN(CC(NCc4cccnc4)=O)C3=O)N(CC=C)C(N2)=O)c(C)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1707 |
| logD: | 2.0799 |
| logSw: | -2.2959 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.704 |
| InChI Key: | JLYVEKJHNSCYHU-HSZRJFAPSA-N |