2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
Formula:C22H19N5OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide |
| MolecularFormula | C22H19N5OS |
| Smiles | O=C(CSc1nc(cccc2)c2n1Cc1ccccc1)N/N=C\c1ccncc1 |
| InChI | InChI=1S/C22H19N5OS/c28-21(26-24-14-17-10-12-23-13-11-17)16-29-22-25-19-8-4-5-9-20(19)27(22)15-18-6-2-1-3-7-18/h1-14H,15-16H2,(H,26,28) |
| InChIK | IOKZOEOAWXMPAG-UHFFFAOYSA-N |
| TotalMolweight | 401.493 |
| Molweight | 401.493 |
| MonoisotopicMass | 401.13103 |
| CLogP | 3.7455 |
| CLogS | -3.901 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 313.08 |
| Relative PSA | 0.2629 |
| PolarSurfaceArea | 97.47 |
| Druglikeness | 6.2564 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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