4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide
Formula:C22H16N3OBrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide |
| MolecularFormula | C22H16N3OBrS2 |
| Smiles | O=C(c1ccc(CSc2nc(cccc3)c3s2)cc1)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C22H16BrN3OS2/c23-18-6-2-1-5-17(18)13-24-26-21(27)16-11-9-15(10-12-16)14-28-22-25-19-7-3-4-8-20(19)29-22/h1-13H,14H2,(H,26,27) |
| InChIK | BDCAKIWEHKYTSH-UHFFFAOYSA-N |
| TotalMolweight | 482.425 |
| Molweight | 482.425 |
| MonoisotopicMass | 480.991813 |
| CLogP | 6.3901 |
| CLogS | -7.82 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 325.93 |
| Relative PSA | 0.26027 |
| PolarSurfaceArea | 107.89 |
| Druglikeness | 2.9225 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide | 2 - 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(2-bromophenyl)methylideneamino]benzamide
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