2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C23H21N2O2BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-[(3-bromophenyl)methylsulfanyl]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C23H21N2O2BrS |
| Smiles | O=C(CSCc1cccc(Br)c1)N/N=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C23H21BrN2O2S/c24-21-8-4-7-20(13-21)16-29-17-23(27)26-25-14-18-9-11-22(12-10-18)28-15-19-5-2-1-3-6-19/h1-14H,15-17H2,(H,26,27) |
| InChIK | RLAOSBCQMHAFAP-UHFFFAOYSA-N |
| TotalMolweight | 469.402 |
| Molweight | 469.402 |
| MonoisotopicMass | 468.050709 |
| CLogP | 5.4645 |
| CLogS | -6.682 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 334.15 |
| Relative PSA | 0.19003 |
| PolarSurfaceArea | 75.99 |
| Druglikeness | 2.5597 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72414 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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