N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]acetamide
Formula:C26H21N3O4BrClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]acetamide |
| MolecularFormula | C26H21N3O4BrClS |
| Smiles | O=C(CNS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c(c1ccccc1cc1)c1OCc1cccc(Br)c1 |
| InChI | InChI=1S/C26H21BrClN3O4S/c27-20-6-3-4-18(14-20)17-35-25-13-8-19-5-1-2-7-23(19)24(25)15-29-31-26(32)16-30-36(33,34)22-11-9-21(28)10-12-22/h1-15,30H,16-17H2,(H,31,32) |
| InChIK | IBZVVLBCEMVAKP-UHFFFAOYSA-N |
| TotalMolweight | 586.893 |
| Molweight | 586.893 |
| MonoisotopicMass | 585.012465 |
| CLogP | 5.8456 |
| CLogS | -7.553 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 392.96 |
| Relative PSA | 0.21898 |
| PolarSurfaceArea | 105.24 |
| Druglikeness | 1.5574 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]acetamide | 2 - N-[(Z)-[2-[(3-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off