N-[(Z)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C21H14N3OBr2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C21H14N3OBr2ClS |
| Smiles | Clc1ccc(COc(c(Br)cc(/C=N\Nc2nc(cccc3)c3s2)c2)c2Br)cc1 |
| InChI | InChI=1S/C21H14Br2ClN3OS/c22-16-9-14(11-25-27-21-26-18-3-1-2-4-19(18)29-21)10-17(23)20(16)28-12-13-5-7-15(24)8-6-13/h1-11H,12H2,(H,26,27) |
| InChIK | VHDDZHOOOWGMHB-UHFFFAOYSA-N |
| TotalMolweight | 551.689 |
| Molweight | 551.689 |
| MonoisotopicMass | 548.891281 |
| CLogP | 9.0478 |
| CLogS | -7.861 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 334.74 |
| Relative PSA | 0.19209 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 0.30292 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
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