4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide
Formula:C23H16N4OS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(4-cyanophenyl)methylideneamino]benzamide |
| MolecularFormula | C23H16N4OS2 |
| Smiles | N#Cc1ccc(/C=N\NC(c2ccc(CSc3nc(cccc4)c4s3)cc2)=O)cc1 |
| InChI | InChI=1S/C23H16N4OS2/c24-13-16-5-7-17(8-6-16)14-25-27-22(28)19-11-9-18(10-12-19)15-29-23-26-20-3-1-2-4-21(20)30-23/h1-12,14H,15H2,(H,27,28) |
| InChIK | ZNDAVRCRLBIJHF-UHFFFAOYSA-N |
| TotalMolweight | 428.539 |
| Molweight | 428.539 |
| MonoisotopicMass | 428.076551 |
| CLogP | 5.5005 |
| CLogS | -7.759 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 329.01 |
| Relative PSA | 0.29905 |
| PolarSurfaceArea | 131.68 |
| Druglikeness | 0.4325 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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