(E)-N-(4-bromophenyl)-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]prop-2-enamide
Formula:C24H19N2O3Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(E)-N-(4-bromophenyl)-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(4-bromophenyl)-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]prop-2-enamide |
| MolecularFormula | C24H19N2O3Br |
| Smiles | O=C(/C=C/c1cc(N(C(C2C3C4C=CC2C4)=O)C3=O)ccc1)Nc(cc1)ccc1Br |
| InChI | InChI=1S/C24H19BrN2O3/c25-17-7-9-18(10-8-17)26-20(28)11-4-14-2-1-3-19(12-14)27-23(29)21-15-5-6-16(13-15)22(21)24(27)30/h1-12,15-16,21-22H,13H2,(H,26,28) |
| InChIK | HRBCCIQFPIHCMN-UHFFFAOYSA-N |
| TotalMolweight | 463.33 |
| Molweight | 463.33 |
| MonoisotopicMass | 462.057904 |
| CLogP | 3.7775 |
| CLogS | -5.872 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 302.92 |
| Relative PSA | 0.17869 |
| PolarSurfaceArea | 66.48 |
| Druglikeness | 0.11537 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 7 |
| Amides | 2 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - (E)-N-(4-bromophenyl)-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]prop-2-enamide | 2 - (E)-N-(4-bromophenyl)-3-[3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)phenyl]prop-2-enamide
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