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-[(furan-2-yl)methyl]-4-methylpentanamide
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-[(furan-2-yl)methyl]-4-methylpentanamide
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-[(furan-2-yl)methyl]-4-methylpentanamide
Compound characteristics
| Compound ID: | V023-1394 |
| 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-[(furan-2-yl)methyl]-4-methylpentanamide |
| Molecular Weight: | 490.6 |
| Molecular Formula: | C28 H34 N4 O4 |
| Smiles: | CC(C)CC(C(NCc1ccco1)=O)N1CC2=C(C(c3ccc(C)cc3C)NC(N2CC=C)=O)C1=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5796 |
| logD: | 4.4912 |
| logSw: | -4.1776 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.24 |
| InChI Key: | JFSRQZTTYGVRLS-UHFFFAOYSA-N |