4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
Formula:C24H22N4O2S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide is not a drug-like molecule.
| MolName | 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide |
| MolecularFormula | C24H22N4O2S3 |
| Smiles | O=C(c1ccc(CSc2nc(cccc3)c3s2)cc1)N/N=C\c1ccc(N2CCOCC2)s1 |
| InChI | InChI=1S/C24H22N4O2S3/c29-23(27-25-15-19-9-10-22(32-19)28-11-13-30-14-12-28)18-7-5-17(6-8-18)16-31-24-26-20-3-1-2-4-21(20)33-24/h1-10,15H,11-14,16H2,(H,27,29) |
| InChIK | ZVJGLRNKGFVZIF-UHFFFAOYSA-N |
| TotalMolweight | 494.663 |
| Molweight | 494.663 |
| MonoisotopicMass | 494.090486 |
| CLogP | 5.3901 |
| CLogS | -7.249 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 365.08 |
| Relative PSA | 0.32524 |
| PolarSurfaceArea | 148.6 |
| Druglikeness | 6.3454 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide | 2 - 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[(Z)-(5-morpholin-4-ylthiophen-2-yl)methylideneamino]benzamide
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