| MolName | N-[(Z)-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C22H17N5S |
| Smiles | C(/C(/c1ccccc1)=N/Nc1nc(cccc2)c2s1)c1nc(cccc2)c2[nH]1 |
| InChI | InChI=1S/C22H17N5S/c1-2-8-15(9-3-1)19(14-21-23-16-10-4-5-11-17(16)24-21)26-27-22-25-18-12-6-7-13-20(18)28-22/h1-13H,14H2,(H,23,24)(H,25,27) |
| InChIK | LTCFPMNJKPDJNG-UHFFFAOYSA-N |
| TotalMolweight | 383.478 |
| Molweight | 383.478 |
| MonoisotopicMass | 383.120465 |
| CLogP | 6.5122 |
| CLogS | -5.106 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 293.2 |
| Relative PSA | 0.27033 |
| PolarSurfaceArea | 94.2 |
| Druglikeness | 2.4132 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[2-(1H-benzimidazol-2-yl)-1-phenylethylidene]amino]-1,3-benzothiazol-2-amine