N-[(Z)-[4-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C22H16N6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[4-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C22H16N6S2 |
| Smiles | C(c1ccc(/C=N\Nc2nc(cccc3)c3s2)cc1)=N\Nc1nc(cccc2)c2s1 |
| InChI | InChI=1S/C22H16N6S2/c1-3-7-19-17(5-1)25-21(29-19)27-23-13-15-9-11-16(12-10-15)14-24-28-22-26-18-6-2-4-8-20(18)30-22/h1-14H,(H,25,27)(H,26,28) |
| InChIK | SOXLWZZEBCMACC-UHFFFAOYSA-N |
| TotalMolweight | 428.543 |
| Molweight | 428.543 |
| MonoisotopicMass | 428.087784 |
| CLogP | 9.627 |
| CLogS | -6.616 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 323.82 |
| Relative PSA | 0.33537 |
| PolarSurfaceArea | 131.04 |
| Druglikeness | 2.6111 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 16 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-[4-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[4-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
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