[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
Formula:C17H13N2O5Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate |
| MolecularFormula | C17H13N2O5Br |
| Smiles | O=C(COC(/C=C/c(o1)ccc1Br)=O)N(C1)c(cccc2)c2NC1=O |
| InChI | InChI=1S/C17H13BrN2O5/c18-14-7-5-11(25-14)6-8-17(23)24-10-16(22)20-9-15(21)19-12-3-1-2-4-13(12)20/h1-8H,9-10H2,(H,19,21) |
| InChIK | QZRPGYDWUWQJRD-UHFFFAOYSA-N |
| TotalMolweight | 405.203 |
| Molweight | 405.203 |
| MonoisotopicMass | 404.000784 |
| CLogP | 1.7288 |
| CLogS | -3.844 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 266.87 |
| Relative PSA | 0.29318 |
| PolarSurfaceArea | 88.85 |
| Druglikeness | 0.26394 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate | 2 - [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate
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