N-[(Z)-anthracen-9-ylmethylideneamino]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide
Formula:C24H17N3OS2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-(1,3-benzothiazol-2-ylsulfanyl)acetamide |
| MolecularFormula | C24H17N3OS2 |
| Smiles | O=C(CSc1nc(cccc2)c2s1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C24H17N3OS2/c28-23(15-29-24-26-21-11-5-6-12-22(21)30-24)27-25-14-20-18-9-3-1-7-16(18)13-17-8-2-4-10-19(17)20/h1-14H,15H2,(H,27,28) |
| InChIK | BVOLUJVEUVHFLH-UHFFFAOYSA-N |
| TotalMolweight | 427.551 |
| Molweight | 427.551 |
| MonoisotopicMass | 427.081302 |
| CLogP | 6.3051 |
| CLogS | -8.311 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 316.74 |
| Relative PSA | 0.26782 |
| PolarSurfaceArea | 107.89 |
| Druglikeness | 4.7928 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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