(2Z)-2-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Formula:C32H21N4O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is not a drug-like molecule.
| MolName | (2Z)-2-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one |
| MolecularFormula | C32H21N4O2ClS |
| Smiles | O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2OCc(cccc2)c2Cl)n2c1nc1c2cccc1 |
| InChI | InChI=1S/C32H21ClN4O2S/c33-26-11-5-4-8-22(26)20-39-25-16-14-21(15-17-25)30-23(19-36(35-30)24-9-2-1-3-10-24)18-29-31(38)37-28-13-7-6-12-27(28)34-32(37)40-29/h1-19H,20H2 |
| InChIK | MQLVGXHWHFJYSV-UHFFFAOYSA-N |
| TotalMolweight | 561.064 |
| Molweight | 561.064 |
| MonoisotopicMass | 560.107373 |
| CLogP | 6.3793 |
| CLogS | -7.725 |
| H Acceptors | 6 |
| TotalSurfaceArea | 408.45 |
| Relative PSA | 0.18658 |
| PolarSurfaceArea | 87.24 |
| Druglikeness | 5.1048 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 32 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1-phenylpyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
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