N-[(Z)-(2-bromophenyl)methylideneamino]-3-(4-chlorophenyl)sulfanylpropanamide
Formula:C16H14N2OBrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-(2-bromophenyl)methylideneamino]-3-(4-chlorophenyl)sulfanylpropanamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-3-(4-chlorophenyl)sulfanylpropanamide |
| MolecularFormula | C16H14N2OBrClS |
| Smiles | O=C(CCSc(cc1)ccc1Cl)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C16H14BrClN2OS/c17-15-4-2-1-3-12(15)11-19-20-16(21)9-10-22-14-7-5-13(18)6-8-14/h1-8,11H,9-10H2,(H,20,21) |
| InChIK | VRCPMKXLAYLPIL-UHFFFAOYSA-N |
| TotalMolweight | 397.723 |
| Molweight | 397.723 |
| MonoisotopicMass | 395.969871 |
| CLogP | 5.2 |
| CLogS | -6.103 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 266.05 |
| Relative PSA | 0.20109 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 2.7062 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-bromophenyl)methylideneamino]-3-(4-chlorophenyl)sulfanylpropanamide | 2 - N-[(Z)-(2-bromophenyl)methylideneamino]-3-(4-chlorophenyl)sulfanylpropanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off