N-[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C23H17N4IS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C23H17N4IS |
| Smiles | Ic1ccc(Cn2c(cccc3)c3c(/C=N\Nc3nc(cccc4)c4s3)c2)cc1 |
| InChI | InChI=1S/C23H17IN4S/c24-18-11-9-16(10-12-18)14-28-15-17(19-5-1-3-7-21(19)28)13-25-27-23-26-20-6-2-4-8-22(20)29-23/h1-13,15H,14H2,(H,26,27) |
| InChIK | ZSEVKMMTUSKGML-UHFFFAOYSA-N |
| TotalMolweight | 508.382 |
| Molweight | 508.382 |
| MonoisotopicMass | 508.021864 |
| CLogP | 7.6101 |
| CLogS | -6.11 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 322.14 |
| Relative PSA | 0.18989 |
| PolarSurfaceArea | 70.45 |
| Druglikeness | 5.0115 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[1-[(4-iodophenyl)methyl]indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine
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