N-[(Z)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
Formula:C26H18N4O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide |
| MolecularFormula | C26H18N4O4S2 |
| Smiles | [O-][N+](c(cc(/C=N\NC(COc1cccc2ccccc12)=O)cc1)c1Sc1nc(cccc2)c2s1)=O |
| InChI | InChI=1S/C26H18N4O4S2/c31-25(16-34-22-10-5-7-18-6-1-2-8-19(18)22)29-27-15-17-12-13-24(21(14-17)30(32)33)36-26-28-20-9-3-4-11-23(20)35-26/h1-15H,16H2,(H,29,31) |
| InChIK | UKTOMZDJWKDXGS-UHFFFAOYSA-N |
| TotalMolweight | 514.585 |
| Molweight | 514.585 |
| MonoisotopicMass | 514.076946 |
| CLogP | 5.3723 |
| CLogS | -8.189 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 375.57 |
| Relative PSA | 0.33349 |
| PolarSurfaceArea | 162.94 |
| Druglikeness | -0.64631 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide | 2 - N-[(Z)-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-nitrophenyl]methylideneamino]-2-naphthalen-1-yloxyacetamide
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