N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-4-cyano-2-fluorobenzamide
Formula:C20H12N5O2FS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-4-cyano-2-fluorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-4-cyano-2-fluorobenzamide |
| MolecularFormula | C20H12N5O2FS |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\c(o1)ccc1Sc1nc(cccc2)c2[nH]1)=O |
| InChI | InChI=1S/C20H12FN5O2S/c21-15-9-12(10-22)5-7-14(15)19(27)26-23-11-13-6-8-18(28-13)29-20-24-16-3-1-2-4-17(16)25-20/h1-9,11H,(H,24,25)(H,26,27) |
| InChIK | ZVLRVYCPTRAMDO-UHFFFAOYSA-N |
| TotalMolweight | 405.412 |
| Molweight | 405.412 |
| MonoisotopicMass | 405.069573 |
| CLogP | 4.0869 |
| CLogS | -6.019 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 304.92 |
| Relative PSA | 0.34806 |
| PolarSurfaceArea | 132.37 |
| Druglikeness | 1.2329 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-4-cyano-2-fluorobenzamide | 2 - N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-4-cyano-2-fluorobenzamide
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