(5Z)-3-(5,6-dichloro-1,3-benzothiazol-2-yl)-5-(furan-2-ylmethylidene)-2-phenylimidazol-4-one
Formula:C21H11N3O2Cl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(5,6-dichloro-1,3-benzothiazol-2-yl)-5-(furan-2-ylmethylidene)-2-phenylimidazol-4-one is not a drug-like molecule.
| MolName | (5Z)-3-(5,6-dichloro-1,3-benzothiazol-2-yl)-5-(furan-2-ylmethylidene)-2-phenylimidazol-4-one |
| MolecularFormula | C21H11N3O2Cl2S |
| Smiles | O=C(/C(/N=C1c2ccccc2)=C/c2ccco2)N1c(sc1c2)nc1cc(Cl)c2Cl |
| InChI | InChI=1S/C21H11Cl2N3O2S/c22-14-10-16-18(11-15(14)23)29-21(25-16)26-19(12-5-2-1-3-6-12)24-17(20(26)27)9-13-7-4-8-28-13/h1-11H |
| InChIK | RUEDCOIYACPOCM-UHFFFAOYSA-N |
| TotalMolweight | 440.309 |
| Molweight | 440.309 |
| MonoisotopicMass | 438.994901 |
| CLogP | 5.3995 |
| CLogS | -7.387 |
| H Acceptors | 5 |
| TotalSurfaceArea | 304.84 |
| Relative PSA | 0.24124 |
| PolarSurfaceArea | 86.94 |
| Druglikeness | 3.1665 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-3-(5,6-dichloro-1,3-benzothiazol-2-yl)-5-(furan-2-ylmethylidene)-2-phenylimidazol-4-one | 2 - (5Z)-3-(5,6-dichloro-1,3-benzothiazol-2-yl)-5-(furan-2-ylmethylidene)-2-phenylimidazol-4-one
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