N-[(Z)-(4-bromophenyl)methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide
Formula:C23H17N4OBrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide |
| MolecularFormula | C23H17N4OBrS |
| Smiles | O=C(c(cc1)ccc1Nc1nc(-c2ccccc2)cs1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C23H17BrN4OS/c24-19-10-6-16(7-11-19)14-25-28-22(29)18-8-12-20(13-9-18)26-23-27-21(15-30-23)17-4-2-1-3-5-17/h1-15H,(H,26,27)(H,28,29) |
| InChIK | WICATTDUTWIQBC-UHFFFAOYSA-N |
| TotalMolweight | 477.385 |
| Molweight | 477.385 |
| MonoisotopicMass | 476.030642 |
| CLogP | 6.8327 |
| CLogS | -7.644 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 331.3 |
| Relative PSA | 0.23785 |
| PolarSurfaceArea | 94.62 |
| Druglikeness | 4.0181 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine; 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 | 23 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-bromophenyl)methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzamide
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