N-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-3-(trifluoromethyl)benzamide
Formula:C23H15N2OF3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-3-(trifluoromethyl)benzamide is not a drug-like molecule.
| MolName | N-[4-[(E)-2-(1,3-benzothiazol-2-yl)ethenyl]phenyl]-3-(trifluoromethyl)benzamide |
| MolecularFormula | C23H15N2OF3S |
| Smiles | O=C(c1cc(C(F)(F)F)ccc1)Nc1ccc(/C=C/c2nc(cccc3)c3s2)cc1 |
| InChI | InChI=1S/C23H15F3N2OS/c24-23(25,26)17-5-3-4-16(14-17)22(29)27-18-11-8-15(9-12-18)10-13-21-28-19-6-1-2-7-20(19)30-21/h1-14H,(H,27,29) |
| InChIK | KDXHMUHPKUBUAQ-UHFFFAOYSA-N |
| TotalMolweight | 424.445 |
| Molweight | 424.445 |
| MonoisotopicMass | 424.085717 |
| CLogP | 5.8696 |
| CLogS | -6.306 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 307.25 |
| Relative PSA | 0.18171 |
| PolarSurfaceArea | 70.23 |
| Druglikeness | -4.9309 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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