| MolName | N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine |
| MolecularFormula | C23H17N3OBrClS |
| Smiles | Clc(cc1)ccc1-c1csc(N/N=C\c(cc2)ccc2OCc(cc2)ccc2Br)n1 |
| InChI | InChI=1S/C23H17BrClN3OS/c24-19-7-1-17(2-8-19)14-29-21-11-3-16(4-12-21)13-26-28-23-27-22(15-30-23)18-5-9-20(25)10-6-18/h1-13,15H,14H2,(H,27,28) |
| InChIK | DQWQTRVTKMPCBB-UHFFFAOYSA-N |
| TotalMolweight | 498.831 |
| Molweight | 498.831 |
| MonoisotopicMass | 496.99642 |
| CLogP | 8.8957 |
| CLogS | -7.571 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 341.27 |
| Relative PSA | 0.18841 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 1.7613 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine | 2 - N-[(Z)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-4-(4-chlorophenyl)-1,3-thiazol-2-amine