N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide
Formula:C20H13N4O2F3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C20H13N4O2F3S |
| Smiles | O=C(c1cc(C(F)(F)F)ccc1)N/N=C\c(o1)ccc1Sc1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C20H13F3N4O2S/c21-20(22,23)13-5-3-4-12(10-13)18(28)27-24-11-14-8-9-17(29-14)30-19-25-15-6-1-2-7-16(15)26-19/h1-11H,(H,25,26)(H,27,28) |
| InChIK | JQKAGLGVDQEPIB-UHFFFAOYSA-N |
| TotalMolweight | 430.409 |
| Molweight | 430.409 |
| MonoisotopicMass | 430.07113 |
| CLogP | 4.9988 |
| CLogS | -5.71 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 306.32 |
| Relative PSA | 0.3022 |
| PolarSurfaceArea | 108.58 |
| Druglikeness | -0.33706 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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