N-[(Z)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C24H20N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[1-(2-phenoxyethyl)indol-3-yl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C24H20N4OS |
| Smiles | C(COc1ccccc1)n1c(cccc2)c2c(/C=N\Nc2nc(cccc3)c3s2)c1 |
| InChI | InChI=1S/C24H20N4OS/c1-2-8-19(9-3-1)29-15-14-28-17-18(20-10-4-6-12-22(20)28)16-25-27-24-26-21-11-5-7-13-23(21)30-24/h1-13,16-17H,14-15H2,(H,26,27) |
| InChIK | SVVVLPJPCVXILH-UHFFFAOYSA-N |
| TotalMolweight | 412.516 |
| Molweight | 412.516 |
| MonoisotopicMass | 412.135781 |
| CLogP | 7.0902 |
| CLogS | -5.259 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 319.62 |
| Relative PSA | 0.22267 |
| PolarSurfaceArea | 79.68 |
| Druglikeness | 4.655 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| 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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