N-[(Z)-anthracen-9-ylmethylideneamino]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
Formula:C24H17N3O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide |
| MolecularFormula | C24H17N3O2S |
| Smiles | O=C(CSc1nc(cccc2)c2o1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C24H17N3O2S/c28-23(15-30-24-26-21-11-5-6-12-22(21)29-24)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 | YRSJIMSXTYOQTN-UHFFFAOYSA-N |
| TotalMolweight | 411.484 |
| Molweight | 411.484 |
| MonoisotopicMass | 411.104147 |
| CLogP | 6.0571 |
| CLogS | -8.089 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 310.49 |
| Relative PSA | 0.25308 |
| PolarSurfaceArea | 92.79 |
| Druglikeness | 4.6908 |
| 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 |
Click to Load Molecule:
1 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off