(2Z)-2-[[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Formula:C32H22N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-[[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is not a drug-like molecule.
| MolName | (2Z)-2-[[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one |
| MolecularFormula | C32H22N4O2S |
| Smiles | O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2cc(OCc3ccccc3)ccc2)n2c1nc1c2cccc1 |
| InChI | InChI=1S/C32H22N4O2S/c37-31-29(39-32-33-27-16-7-8-17-28(27)36(31)32)19-24-20-35(25-13-5-2-6-14-25)34-30(24)23-12-9-15-26(18-23)38-21-22-10-3-1-4-11-22/h1-20H,21H2 |
| InChIK | AWDCKINWOCRHBB-UHFFFAOYSA-N |
| TotalMolweight | 526.619 |
| Molweight | 526.619 |
| MonoisotopicMass | 526.146346 |
| CLogP | 5.7733 |
| CLogS | -6.989 |
| H Acceptors | 6 |
| TotalSurfaceArea | 393.03 |
| Relative PSA | 0.1939 |
| PolarSurfaceArea | 87.24 |
| Druglikeness | 5.0564 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48718 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 7 |
| Small Rings | 7 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 32 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - (2Z)-2-[[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[[1-phenyl-3-(3-phenylmethoxyphenyl)pyrazol-4-yl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
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