[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(3-bromophenyl)prop-2-enoate
Formula:C19H15N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(3-bromophenyl)prop-2-enoate is a drug-like molecule.
| MolName | [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(3-bromophenyl)prop-2-enoate |
| MolecularFormula | C19H15N2O4Br |
| Smiles | O=C(COC(/C=C/c1cccc(Br)c1)=O)N(C1)c(cccc2)c2NC1=O |
| InChI | InChI=1S/C19H15BrN2O4/c20-14-5-3-4-13(10-14)8-9-19(25)26-12-18(24)22-11-17(23)21-15-6-1-2-7-16(15)22/h1-10H,11-12H2,(H,21,23) |
| InChIK | ABVNLSWEUDVOMJ-UHFFFAOYSA-N |
| TotalMolweight | 415.242 |
| Molweight | 415.242 |
| MonoisotopicMass | 414.021519 |
| CLogP | 2.4427 |
| CLogS | -4.399 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 277.18 |
| Relative PSA | 0.23137 |
| PolarSurfaceArea | 75.71 |
| Druglikeness | 0.75961 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 2 |
| StereoCon |
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1 - [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(3-bromophenyl)prop-2-enoate | 2 - [2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] (E)-3-(3-bromophenyl)prop-2-enoate
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