2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
Formula:C24H19N4OF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide |
| MolecularFormula | C24H19N4OF3S |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc1ccccc1)N/N=C\c1ccc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C24H19F3N4OS/c25-24(26,27)19-12-10-17(11-13-19)14-28-30-22(32)16-33-23-29-20-8-4-5-9-21(20)31(23)15-18-6-2-1-3-7-18/h1-14H,15-16H2,(H,30,32) |
| InChIK | RWDBXPDYYVYYAE-UHFFFAOYSA-N |
| TotalMolweight | 468.502 |
| Molweight | 468.502 |
| MonoisotopicMass | 468.123165 |
| CLogP | 5.5947 |
| CLogS | -5.474 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 343.78 |
| Relative PSA | 0.20752 |
| PolarSurfaceArea | 84.58 |
| Druglikeness | -0.93359 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57576 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide | 2 - 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
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