N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide
Formula:C30H23N2O2ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide |
| MolecularFormula | C30H23N2O2ClS |
| Smiles | O=C(CSc1cccc2ccccc12)N/N=C\c(c1ccccc1cc1)c1OCc(cccc1)c1Cl |
| InChI | InChI=1S/C30H23ClN2O2S/c31-27-14-6-3-10-23(27)19-35-28-17-16-22-9-1-4-12-24(22)26(28)18-32-33-30(34)20-36-29-15-7-11-21-8-2-5-13-25(21)29/h1-18H,19-20H2,(H,33,34) |
| InChIK | SBCXAZWUHVRCMU-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 | 0.52778 |
| 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 |
| StereoCon |
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