(Z)-3-[2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]-2-(3,4-dichlorophenyl)prop-2-enenitrile
Formula:C24H16N3Cl3S
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-(3,4-dichlorophenyl)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-(3,4-dichlorophenyl)prop-2-enenitrile |
| MolecularFormula | C24H16N3Cl3S |
| Smiles | N#C/C(/c(cc1)cc(Cl)c1Cl)=C\c1c(-c(cc2)ccc2Cl)nc2sc(CCCC3)c3n12 |
| InChI | InChI=1S/C24H16Cl3N3S/c25-17-8-5-14(6-9-17)23-21(12-16(13-28)15-7-10-18(26)19(27)11-15)30-20-3-1-2-4-22(20)31-24(30)29-23/h5-12H,1-4H2 |
| InChIK | HVGDKJKWWSKUGZ-UHFFFAOYSA-N |
| TotalMolweight | 484.837 |
| Molweight | 484.837 |
| MonoisotopicMass | 483.013048 |
| CLogP | 7.321 |
| CLogS | -7.616 |
| H Acceptors | 3 |
| TotalSurfaceArea | 346.95 |
| Relative PSA | 0.1523 |
| PolarSurfaceArea | 69.33 |
| Druglikeness | -6.6221 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| 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-(3,4-dichlorophenyl)prop-2-enenitrile | 2 - (Z)-3-[2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]-2-(3,4-dichlorophenyl)prop-2-enenitrile
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off