N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide
Formula:C30H23N2O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide |
| MolecularFormula | C30H23N2O2ClS |
| Smiles | O=C(CSc1cccc2ccccc12)N/N=C\c(c1ccccc1cc1)c1OCc(cc1)ccc1Cl |
| InChI | InChI=1S/C30H23ClN2O2S/c31-24-15-12-21(13-16-24)19-35-28-17-14-23-7-1-3-9-25(23)27(28)18-32-33-30(34)20-36-29-11-5-8-22-6-2-4-10-26(22)29/h1-18H,19-20H2,(H,33,34) |
| InChIK | VBHBHELGVRYEAF-UHFFFAOYSA-N |
| TotalMolweight | 511.044 |
| Molweight | 511.044 |
| MonoisotopicMass | 510.116875 |
| CLogP | 7.7573 |
| CLogS | -9.552 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 386.38 |
| Relative PSA | 0.16435 |
| PolarSurfaceArea | 75.99 |
| Druglikeness | 4.4844 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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