(5Z)-3-(5-chloro-1,3-benzothiazol-2-yl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one
Formula:C23H14N3OClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(5-chloro-1,3-benzothiazol-2-yl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one is not a drug-like molecule.
| MolName | (5Z)-3-(5-chloro-1,3-benzothiazol-2-yl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one |
| MolecularFormula | C23H14N3OClS2 |
| Smiles | O=C(/C(/N=C1c2ccccc2)=C/c(cccc2)c2S)N1c1nc(cc(cc2)Cl)c2s1 |
| InChI | InChI=1S/C23H14ClN3OS2/c24-16-10-11-20-17(13-16)26-23(30-20)27-21(14-6-2-1-3-7-14)25-18(22(27)28)12-15-8-4-5-9-19(15)29/h1-13,29H |
| InChIK | JKJXXVONHUWIAW-UHFFFAOYSA-N |
| TotalMolweight | 447.969 |
| Molweight | 447.969 |
| MonoisotopicMass | 447.026679 |
| CLogP | 5.5458 |
| CLogS | -8.075 |
| H Acceptors | 4 |
| TotalSurfaceArea | 315.59 |
| Relative PSA | 0.25996 |
| PolarSurfaceArea | 112.6 |
| Druglikeness | 1.1234 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-3-(5-chloro-1,3-benzothiazol-2-yl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one | 2 - (5Z)-3-(5-chloro-1,3-benzothiazol-2-yl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazol-4-one
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