(5Z)-2-amino-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one
Formula:C17H12N2O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-2-amino-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one is a drug-like molecule.
| MolName | (5Z)-2-amino-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one |
| MolecularFormula | C17H12N2O2Cl2S |
| Smiles | NC(S/C1=C\c(cc2)ccc2OCc(cc2)cc(Cl)c2Cl)=NC1=O |
| InChI | InChI=1S/C17H12Cl2N2O2S/c18-13-6-3-11(7-14(13)19)9-23-12-4-1-10(2-5-12)8-15-16(22)21-17(20)24-15/h1-8H,9H2,(H2,20,21,22) |
| InChIK | PWHSITCITDTFFJ-UHFFFAOYSA-N |
| TotalMolweight | 379.266 |
| Molweight | 379.266 |
| MonoisotopicMass | 377.999652 |
| CLogP | 3.5581 |
| CLogS | -6.102 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 265.56 |
| Relative PSA | 0.25346 |
| PolarSurfaceArea | 89.98 |
| Druglikeness | 2.0961 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-2-amino-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one | 2 - (5Z)-2-amino-5-[[4-[(3,4-dichlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one
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