N-[(Z)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
Formula:C23H15N3O3S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide |
| MolecularFormula | C23H15N3O3S2 |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c(o1)ccc1Sc1nc(cccc2)c2s1)=O |
| InChI | InChI=1S/C23H15N3O3S2/c27-19-12-15-6-2-1-5-14(15)11-17(19)22(28)26-24-13-16-9-10-21(29-16)31-23-25-18-7-3-4-8-20(18)30-23/h1-13,27H,(H,26,28) |
| InChIK | GMYWWHGSATZFGL-UHFFFAOYSA-N |
| TotalMolweight | 445.522 |
| Molweight | 445.522 |
| MonoisotopicMass | 445.055482 |
| CLogP | 5.6594 |
| CLogS | -7.098 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 324.18 |
| Relative PSA | 0.34561 |
| PolarSurfaceArea | 141.26 |
| Druglikeness | 6.6771 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide | 2 - N-[(Z)-[5-(1,3-benzothiazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
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