N-[(Z)-1-(4-bromophenyl)-3-(3-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide
Formula:C22H17N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-1-(4-bromophenyl)-3-(3-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide is a drug-like molecule.
| MolName | N-[(Z)-1-(4-bromophenyl)-3-(3-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide |
| MolecularFormula | C22H17N2O3Br |
| Smiles | Oc1cccc(NC(/C(/NC(c2ccccc2)=O)=C/c(cc2)ccc2Br)=O)c1 |
| InChI | InChI=1S/C22H17BrN2O3/c23-17-11-9-15(10-12-17)13-20(25-21(27)16-5-2-1-3-6-16)22(28)24-18-7-4-8-19(26)14-18/h1-14,26H,(H,24,28)(H,25,27) |
| InChIK | BBTZIICYQIPWOQ-UHFFFAOYSA-N |
| TotalMolweight | 437.292 |
| Molweight | 437.292 |
| MonoisotopicMass | 436.042254 |
| CLogP | 4.8033 |
| CLogS | -5.411 |
| H Acceptors | 5 |
| H Donors | 3 |
| TotalSurfaceArea | 300.89 |
| Relative PSA | 0.20639 |
| PolarSurfaceArea | 78.43 |
| Druglikeness | 1.2025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
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1 - N-[(Z)-1-(4-bromophenyl)-3-(3-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide | 2 - N-[(Z)-1-(4-bromophenyl)-3-(3-hydroxyanilino)-3-oxoprop-1-en-2-yl]benzamide
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