| MolName | N-[(Z)-[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C24H19N4OBrS |
| Smiles | Brc(cc1)ccc1OCCn1c(cccc2)c2c(/C=N\Nc2nc(cccc3)c3s2)c1 |
| InChI | InChI=1S/C24H19BrN4OS/c25-18-9-11-19(12-10-18)30-14-13-29-16-17(20-5-1-3-7-22(20)29)15-26-28-24-27-21-6-2-4-8-23(21)31-24/h1-12,15-16H,13-14H2,(H,27,28) |
| InChIK | ZRYMWARMZOHEOC-UHFFFAOYSA-N |
| TotalMolweight | 491.412 |
| Molweight | 491.412 |
| MonoisotopicMass | 490.046292 |
| CLogP | 7.8154 |
| CLogS | -6.093 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 338.25 |
| Relative PSA | 0.21041 |
| PolarSurfaceArea | 79.68 |
| Druglikeness | 2.865 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[1-[2-(4-bromophenoxy)ethyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine