2-bromo-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
Formula:C16H16N3O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-bromo-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-bromo-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide |
| MolecularFormula | C16H16N3O2BrS |
| Smiles | O=C(c(cccc1)c1Br)N/N=C\c1ccc(N2CCOCC2)s1 |
| InChI | InChI=1S/C16H16BrN3O2S/c17-14-4-2-1-3-13(14)16(21)19-18-11-12-5-6-15(23-12)20-7-9-22-10-8-20/h1-6,11H,7-10H2,(H,19,21) |
| InChIK | BVXJYLXSHDCPGP-UHFFFAOYSA-N |
| TotalMolweight | 394.292 |
| Molweight | 394.292 |
| MonoisotopicMass | 393.014658 |
| CLogP | 3.652 |
| CLogS | -4.818 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 263.4 |
| Relative PSA | 0.26545 |
| PolarSurfaceArea | 82.17 |
| Druglikeness | 4.5004 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - 2-bromo-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide | 2 - 2-bromo-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off