N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C27H20N4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C27H20N4S |
| Smiles | C(c1cccc2ccccc12)n1c(cccc2)c2c(/C=N\Nc2nc(cccc3)c3s2)c1 |
| InChI | InChI=1S/C27H20N4S/c1-2-11-22-19(8-1)9-7-10-20(22)17-31-18-21(23-12-3-5-14-25(23)31)16-28-30-27-29-24-13-4-6-15-26(24)32-27/h1-16,18H,17H2,(H,29,30) |
| InChIK | IKFALNIBCDDJDT-UHFFFAOYSA-N |
| TotalMolweight | 432.55 |
| Molweight | 432.55 |
| MonoisotopicMass | 432.140866 |
| CLogP | 8.3674 |
| CLogS | -6.7 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 330.46 |
| Relative PSA | 0.18511 |
| PolarSurfaceArea | 70.45 |
| Druglikeness | 4.5803 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine
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