2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide
Formula:C29H24N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(4-phenylphenyl)methylideneamino]acetamide |
| MolecularFormula | C29H24N4OS |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc1ccccc1)N/N=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C29H24N4OS/c34-28(32-30-19-22-15-17-25(18-16-22)24-11-5-2-6-12-24)21-35-29-31-26-13-7-8-14-27(26)33(29)20-23-9-3-1-4-10-23/h1-19H,20-21H2,(H,32,34) |
| InChIK | PMIDKQXWVANVGB-UHFFFAOYSA-N |
| TotalMolweight | 476.603 |
| Molweight | 476.603 |
| MonoisotopicMass | 476.167081 |
| CLogP | 6.4056 |
| CLogS | -6.782 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 374.08 |
| Relative PSA | 0.19071 |
| PolarSurfaceArea | 84.58 |
| Druglikeness | 6.2564 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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