(5Z)-2-morpholin-4-yl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazol-4-one
Formula:C19H15N2O3F3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5Z)-2-morpholin-4-yl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazol-4-one is a drug-like molecule.
| MolName | (5Z)-2-morpholin-4-yl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazol-4-one |
| MolecularFormula | C19H15N2O3F3S |
| Smiles | O=C1N=C(N2CCOCC2)S/C1=C\c1ccc(-c2cc(C(F)(F)F)ccc2)o1 |
| InChI | InChI=1S/C19H15F3N2O3S/c20-19(21,22)13-3-1-2-12(10-13)15-5-4-14(27-15)11-16-17(25)23-18(28-16)24-6-8-26-9-7-24/h1-5,10-11H,6-9H2 |
| InChIK | GVJAUTPQFNDWSU-UHFFFAOYSA-N |
| TotalMolweight | 408.399 |
| Molweight | 408.399 |
| MonoisotopicMass | 408.075547 |
| CLogP | 3.3722 |
| CLogS | -5.148 |
| H Acceptors | 5 |
| TotalSurfaceArea | 283.43 |
| Relative PSA | 0.24592 |
| PolarSurfaceArea | 80.34 |
| Druglikeness | -2.9197 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-2-morpholin-4-yl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazol-4-one | 2 - (5Z)-2-morpholin-4-yl-5-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methylidene]-1,3-thiazol-4-one
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