N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide
Formula:C18H20N4OBrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide |
| MolecularFormula | C18H20N4OBrClS |
| Smiles | O=C(CN1CCN(Cc(cccc2)c2Cl)CC1)N/N=C\c(s1)ccc1Br |
| InChI | InChI=1S/C18H20BrClN4OS/c19-17-6-5-15(26-17)11-21-22-18(25)13-24-9-7-23(8-10-24)12-14-3-1-2-4-16(14)20/h1-6,11H,7-10,12-13H2,(H,22,25) |
| InChIK | LSAHYPFSQBDHBQ-UHFFFAOYSA-N |
| TotalMolweight | 455.807 |
| Molweight | 455.807 |
| MonoisotopicMass | 454.022969 |
| CLogP | 3.9503 |
| CLogS | -4.163 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 306.64 |
| Relative PSA | 0.20699 |
| PolarSurfaceArea | 76.18 |
| Druglikeness | 6.7485 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 2 |
| AlkylAmines | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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