N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide
Formula:C24H19N2OClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-chlorophenyl)methylsulfanyl]acetamide |
| MolecularFormula | C24H19N2OClS |
| Smiles | O=C(CSCc(cc1)ccc1Cl)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C24H19ClN2OS/c25-20-11-9-17(10-12-20)15-29-16-24(28)27-26-14-23-21-7-3-1-5-18(21)13-19-6-2-4-8-22(19)23/h1-14H,15-16H2,(H,27,28) |
| InChIK | CUUBXPBIMUGGPA-UHFFFAOYSA-N |
| TotalMolweight | 418.947 |
| Molweight | 418.947 |
| MonoisotopicMass | 418.09066 |
| CLogP | 6.386 |
| CLogS | -8.455 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 316.62 |
| Relative PSA | 0.16897 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 4.6946 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon |
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