N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(4-chlorophenyl)sulfanylpropanamide
Formula:C23H20N2O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(4-chlorophenyl)sulfanylpropanamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(4-chlorophenyl)sulfanylpropanamide |
| MolecularFormula | C23H20N2O2Cl2S |
| Smiles | O=C(CCSc(cc1)ccc1Cl)N/N=C\c(cc1)ccc1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C23H20Cl2N2O2S/c24-19-5-1-18(2-6-19)16-29-21-9-3-17(4-10-21)15-26-27-23(28)13-14-30-22-11-7-20(25)8-12-22/h1-12,15H,13-14,16H2,(H,27,28) |
| InChIK | XUYRJISRGFCWGH-UHFFFAOYSA-N |
| TotalMolweight | 459.396 |
| Molweight | 459.396 |
| MonoisotopicMass | 458.062252 |
| CLogP | 6.4289 |
| CLogS | -7.346 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 346.36 |
| Relative PSA | 0.18334 |
| PolarSurfaceArea | 75.99 |
| Druglikeness | 4.2417 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.76667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| StereoCon |
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