(Z)-3-[2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
Formula:C25H17N3ClF3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-3-[2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-3-[2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile |
| MolecularFormula | C25H17N3ClF3S |
| Smiles | N#C/C(/c1cc(C(F)(F)F)ccc1)=C\c1c(-c(cc2)ccc2Cl)nc2sc(CCCC3)c3n12 |
| InChI | InChI=1S/C25H17ClF3N3S/c26-19-10-8-15(9-11-19)23-21(32-20-6-1-2-7-22(20)33-24(32)31-23)13-17(14-30)16-4-3-5-18(12-16)25(27,28)29/h3-5,8-13H,1-2,6-7H2 |
| InChIK | LGRFRTISPAZKPI-UHFFFAOYSA-N |
| TotalMolweight | 483.944 |
| Molweight | 483.944 |
| MonoisotopicMass | 483.078378 |
| CLogP | 6.9573 |
| CLogS | -6.922 |
| H Acceptors | 3 |
| TotalSurfaceArea | 345.57 |
| Relative PSA | 0.15291 |
| PolarSurfaceArea | 69.33 |
| Druglikeness | -13.812 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42424 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (Z)-3-[2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile | 2 - (Z)-3-[2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
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