2-benzylsulfanyl-N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide
Formula:C27H24N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-benzylsulfanyl-N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-benzylsulfanyl-N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide |
| MolecularFormula | C27H24N2O2S |
| Smiles | O=C(CSCc1ccccc1)N/N=C\c(cc1)ccc1OCc1cc2ccccc2cc1 |
| InChI | InChI=1S/C27H24N2O2S/c30-27(20-32-19-22-6-2-1-3-7-22)29-28-17-21-11-14-26(15-12-21)31-18-23-10-13-24-8-4-5-9-25(24)16-23/h1-17H,18-20H2,(H,29,30) |
| InChIK | RVHOKGZRRABXCM-UHFFFAOYSA-N |
| TotalMolweight | 440.566 |
| Molweight | 440.566 |
| MonoisotopicMass | 440.155848 |
| CLogP | 5.9337 |
| CLogS | -7.454 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 350.12 |
| Relative PSA | 0.18137 |
| PolarSurfaceArea | 75.99 |
| Druglikeness | 4.3497 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| StereoCon |
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