N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]benzamide
Formula:C27H21N3O4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]benzamide |
| MolecularFormula | C27H21N3O4Cl2S |
| Smiles | O=C(c(cccc1)c1NS(c(cc1)ccc1Cl)(=O)=O)N/N=C\c1cc(OCc(cc2)ccc2Cl)ccc1 |
| InChI | InChI=1S/C27H21Cl2N3O4S/c28-21-10-8-19(9-11-21)18-36-23-5-3-4-20(16-23)17-30-31-27(33)25-6-1-2-7-26(25)32-37(34,35)24-14-12-22(29)13-15-24/h1-17,32H,18H2,(H,31,33) |
| InChIK | PRTMDTHLBXFMRV-UHFFFAOYSA-N |
| TotalMolweight | 554.453 |
| Molweight | 554.453 |
| MonoisotopicMass | 553.062981 |
| CLogP | 6.0608 |
| CLogS | -7.867 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 401.15 |
| Relative PSA | 0.21451 |
| PolarSurfaceArea | 105.24 |
| Druglikeness | 6.8831 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62162 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]benzamide | 2 - N-[(Z)-[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-2-[(4-chlorophenyl)sulfonylamino]benzamide
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