N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
Formula:C21H18N3O3BrS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide |
| MolecularFormula | C21H18N3O3BrS |
| Smiles | O=C(CNC(c1cccs1)=O)N/N=C\c(cc(cc1)Br)c1OCc1ccccc1 |
| InChI | InChI=1S/C21H18BrN3O3S/c22-17-8-9-18(28-14-15-5-2-1-3-6-15)16(11-17)12-24-25-20(26)13-23-21(27)19-7-4-10-29-19/h1-12H,13-14H2,(H,23,27)(H,25,26) |
| InChIK | OFUDNRAQCJIGMG-UHFFFAOYSA-N |
| TotalMolweight | 472.362 |
| Molweight | 472.362 |
| MonoisotopicMass | 471.025223 |
| CLogP | 4.2252 |
| CLogS | -5.673 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 328.05 |
| Relative PSA | 0.277 |
| PolarSurfaceArea | 108.03 |
| Druglikeness | 5.058 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide | 2 - N-[2-[(2Z)-2-[(5-bromo-2-phenylmethoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off