methyl 3-{5-[2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoate
Chemical Structure Depiction of
methyl 3-{5-[2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoate
methyl 3-{5-[2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 8017-5342 |
| Compound Name: | methyl 3-{5-[2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]furan-2-yl}benzoate |
| Molecular Weight: | 383.32 |
| Molecular Formula: | C18 H13 N3 O7 |
| Smiles: | COC(c1cccc(c1)c1ccc(/C=C/C2=C(C(NC(N2)=O)=O)[N+]([O-])=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8568 |
| logD: | -0.2579 |
| logSw: | -3.5465 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.151 |
| InChI Key: | ONALWMIHBHUWRW-UHFFFAOYSA-N |