| MolName | N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine |
| MolecularFormula | C23H16N3OBrCl2S |
| Smiles | Clc(cc1)cc(Cl)c1-c1csc(N/N=C\c(cc2)ccc2OCc(cc2)ccc2Br)n1 |
| InChI | InChI=1S/C23H16BrCl2N3OS/c24-17-5-1-16(2-6-17)13-30-19-8-3-15(4-9-19)12-27-29-23-28-22(14-31-23)20-10-7-18(25)11-21(20)26/h1-12,14H,13H2,(H,28,29) |
| InChIK | HGOLBYKMQWAVQC-UHFFFAOYSA-N |
| TotalMolweight | 533.276 |
| Molweight | 533.276 |
| MonoisotopicMass | 530.957447 |
| CLogP | 9.5017 |
| CLogS | -8.307 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 356.69 |
| Relative PSA | 0.18027 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 1.7613 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.70968 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine | 2 - N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-amine