N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C18H11N3OCl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C18H11N3OCl2S |
| Smiles | Clc(ccc(-c1ccc(/C=N\Nc2nc(cccc3)c3s2)o1)c1)c1Cl |
| InChI | InChI=1S/C18H11Cl2N3OS/c19-13-7-5-11(9-14(13)20)16-8-6-12(24-16)10-21-23-18-22-15-3-1-2-4-17(15)25-18/h1-10H,(H,22,23) |
| InChIK | YDBBOFRBATYFAV-UHFFFAOYSA-N |
| TotalMolweight | 388.277 |
| Molweight | 388.277 |
| MonoisotopicMass | 386.999986 |
| CLogP | 7.7942 |
| CLogS | -7.048 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 278.83 |
| Relative PSA | 0.24535 |
| PolarSurfaceArea | 78.66 |
| Druglikeness | 4.697 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-1,3-benzothiazol-2-amine
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