2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
Formula:C27H22N4OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide |
| MolecularFormula | C27H22N4OS |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc1ccccc1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C27H22N4OS/c32-26(30-28-17-22-13-8-12-21-11-4-5-14-23(21)22)19-33-27-29-24-15-6-7-16-25(24)31(27)18-20-9-2-1-3-10-20/h1-17H,18-19H2,(H,30,32) |
| InChIK | WLRLSLDWUCPYHI-UHFFFAOYSA-N |
| TotalMolweight | 450.565 |
| Molweight | 450.565 |
| MonoisotopicMass | 450.151431 |
| CLogP | 5.9408 |
| CLogS | -6.302 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 348.92 |
| Relative PSA | 0.20446 |
| PolarSurfaceArea | 84.58 |
| Druglikeness | 6.2564 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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