5-[5-(4-Methoxy-phenyl)-furan-2-ylmethylene]-pyrimidine-2,4,6-trione
PubChem CID: 2177166
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| Compound Synonyms | 301312-49-2, 5-{[5-(4-methoxyphenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione, 5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione, 5-[5-(4-Methoxy-phenyl)-furan-2-ylmethylene]-pyrimidine-2,4,6-trione, 5-((5-(4-methoxyphenyl)furan-2-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, STK867216, AKOS000627941, UPCMLD0ENAT0503-9688:001, Z56790226, F0350-0188, 5-{[5-(4-methoxyphenyl)furan-2-yl]methylidene}pyrimidine-2,4,6(1H,3H,5H)-trione |
|---|---|
| Topological Polar Surface Area | 97.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 515.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-[[5-(4-methoxyphenyl)furan-2-yl]methylidene]-1,3-diazinane-2,4,6-trione |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C16H12N2O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UOURPSZIXKPGMH-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -4.65 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.092 |
| Compound Name | 5-[5-(4-Methoxy-phenyl)-furan-2-ylmethylene]-pyrimidine-2,4,6-trione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.075 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.075 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 312.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4063056434782615 |
| Inchi | InChI=1S/C16H12N2O5/c1-22-10-4-2-9(3-5-10)13-7-6-11(23-13)8-12-14(19)17-16(21)18-15(12)20/h2-8H,1H3,(H2,17,18,19,20,21) |
| Smiles | COC1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)NC(=O)NC3=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Paeonia Suffruticosa (Plant) Rel Props:Source_db:cmaup_ingredients