1-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea
Formula:C19H19N4OF3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea is a drug-like molecule.
| MolName | 1-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea |
| MolecularFormula | C19H19N4OF3S |
| Smiles | FC(c(cccc1)c1NC(N/N=C\c(cc1)ccc1N1CCOCC1)=S)(F)F |
| InChI | InChI=1S/C19H19F3N4OS/c20-19(21,22)16-3-1-2-4-17(16)24-18(28)25-23-13-14-5-7-15(8-6-14)26-9-11-27-12-10-26/h1-8,13H,9-12H2,(H2,24,25,28) |
| InChIK | ROGUCIMPWHRGLI-UHFFFAOYSA-N |
| TotalMolweight | 408.447 |
| Molweight | 408.447 |
| MonoisotopicMass | 408.123165 |
| CLogP | 4.1095 |
| CLogS | -5.202 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 304.71 |
| Relative PSA | 0.24935 |
| PolarSurfaceArea | 80.98 |
| Druglikeness | -3.872 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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