2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
Formula:C30H26N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide |
| MolecularFormula | C30H26N4O2S |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc1ccccc1)N/N=C\c1cc(OCc2ccccc2)ccc1 |
| InChI | InChI=1S/C30H26N4O2S/c35-29(33-31-19-25-14-9-15-26(18-25)36-21-24-12-5-2-6-13-24)22-37-30-32-27-16-7-8-17-28(27)34(30)20-23-10-3-1-4-11-23/h1-19H,20-22H2,(H,33,35) |
| InChIK | GSJXMPYUIYPXAQ-UHFFFAOYSA-N |
| TotalMolweight | 506.628 |
| Molweight | 506.628 |
| MonoisotopicMass | 506.177646 |
| CLogP | 6.0945 |
| CLogS | -6.037 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 397.84 |
| Relative PSA | 0.20445 |
| PolarSurfaceArea | 93.81 |
| Druglikeness | 5.9317 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59459 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide | 2 - 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-(3-phenylmethoxyphenyl)methylideneamino]acetamide
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