N-[(Z)-1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylprop-1-en-2-yl]-2-chlorobenzamide
Formula:C20H19N3O2BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylprop-1-en-2-yl]-2-chlorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylprop-1-en-2-yl]-2-chlorobenzamide |
| MolecularFormula | C20H19N3O2BrCl |
| Smiles | O=C(/C(/NC(c(cccc1)c1Cl)=O)=C/c(cc1)ccc1Br)N1CCNCC1 |
| InChI | InChI=1S/C20H19BrClN3O2/c21-15-7-5-14(6-8-15)13-18(20(27)25-11-9-23-10-12-25)24-19(26)16-3-1-2-4-17(16)22/h1-8,13,23H,9-12H2,(H,24,26) |
| InChIK | DUROBJZVFGTKGK-UHFFFAOYSA-N |
| TotalMolweight | 448.747 |
| Molweight | 448.747 |
| MonoisotopicMass | 447.034915 |
| CLogP | 4.1383 |
| CLogS | -4.505 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 302.04 |
| Relative PSA | 0.17398 |
| PolarSurfaceArea | 61.44 |
| Druglikeness | 4.1342 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylprop-1-en-2-yl]-2-chlorobenzamide | 2 - N-[(Z)-1-(4-bromophenyl)-3-oxo-3-piperazin-1-ylprop-1-en-2-yl]-2-chlorobenzamide
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