4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
Formula:C28H24N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide |
| MolecularFormula | C28H24N3O4ClS |
| Smiles | O=C(COc1ccc(/C=N\NC(c2ccc(CSc(cc3)ccc3Cl)cc2)=O)cc1)NCc1ccco1 |
| InChI | InChI=1S/C28H24ClN3O4S/c29-23-9-13-26(14-10-23)37-19-21-3-7-22(8-4-21)28(34)32-31-16-20-5-11-24(12-6-20)36-18-27(33)30-17-25-2-1-15-35-25/h1-16H,17-19H2,(H,30,33)(H,32,34) |
| InChIK | LDPVKNZKIRMPRD-UHFFFAOYSA-N |
| TotalMolweight | 534.035 |
| Molweight | 534.035 |
| MonoisotopicMass | 533.117604 |
| CLogP | 5.3895 |
| CLogS | -7.676 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 409.6 |
| Relative PSA | 0.24929 |
| PolarSurfaceArea | 118.23 |
| Druglikeness | 5.4638 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72973 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 11 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide | 2 - 4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-[4-[2-(furan-2-ylmethylamino)-2-oxoethoxy]phenyl]methylideneamino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off