N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C21H15N3OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C21H15N3OCl2S |
| Smiles | Clc1cc(Cl)c(COc2c(/C=N\Nc3nc(cccc4)c4s3)cccc2)cc1 |
| InChI | InChI=1S/C21H15Cl2N3OS/c22-16-10-9-15(17(23)11-16)13-27-19-7-3-1-5-14(19)12-24-26-21-25-18-6-2-4-8-20(18)28-21/h1-12H,13H2,(H,25,26) |
| InChIK | VGRAYMLUGFWSIZ-UHFFFAOYSA-N |
| TotalMolweight | 428.342 |
| Molweight | 428.342 |
| MonoisotopicMass | 427.031286 |
| CLogP | 8.2034 |
| CLogS | -6.929 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 312.9 |
| Relative PSA | 0.2055 |
| PolarSurfaceArea | 74.75 |
| Druglikeness | 2.0929 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
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