N-[(Z)-[3-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
Formula:C25H23N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-[3-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine |
| MolecularFormula | C25H23N3O2S |
| Smiles | C=CCc(cccc1)c1OCCOc1cccc(/C=N\Nc2nc(cccc3)c3s2)c1 |
| InChI | InChI=1S/C25H23N3O2S/c1-2-8-20-10-3-5-13-23(20)30-16-15-29-21-11-7-9-19(17-21)18-26-28-25-27-22-12-4-6-14-24(22)31-25/h2-7,9-14,17-18H,1,8,15-16H2,(H,27,28) |
| InChIK | YWHSNVZSSNRRRL-UHFFFAOYSA-N |
| TotalMolweight | 429.543 |
| Molweight | 429.543 |
| MonoisotopicMass | 429.151097 |
| CLogP | 8.0267 |
| CLogS | -6.096 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 344.12 |
| Relative PSA | 0.21591 |
| PolarSurfaceArea | 83.98 |
| Druglikeness | -7.6336 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 5 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[3-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine | 2 - N-[(Z)-[3-[2-(2-prop-2-enylphenoxy)ethoxy]phenyl]methylideneamino]-1,3-benzothiazol-2-amine
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