N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide
Formula:C30H24N2O2S
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-naphthalen-1-ylsulfanylacetamide |
| MolecularFormula | C30H24N2O2S |
| Smiles | O=C(CSc1cccc2ccccc12)N/N=C\c(cccc1)c1OCc1cccc2ccccc12 |
| InChI | InChI=1S/C30H24N2O2S/c33-30(21-35-29-18-8-13-23-10-2-5-16-27(23)29)32-31-19-24-11-3-6-17-28(24)34-20-25-14-7-12-22-9-1-4-15-26(22)25/h1-19H,20-21H2,(H,32,33) |
| InChIK | DGNKFZQKYJDJBV-UHFFFAOYSA-N |
| TotalMolweight | 476.599 |
| Molweight | 476.599 |
| MonoisotopicMass | 476.155848 |
| CLogP | 7.1513 |
| CLogS | -8.816 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 370.96 |
| Relative PSA | 0.17118 |
| PolarSurfaceArea | 75.99 |
| Druglikeness | 4.4451 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 4 |
| StereoCon |
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