1-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
Formula:C18H19N4O3FS2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea is a drug-like molecule.
| MolName | 1-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea |
| MolecularFormula | C18H19N4O3FS2 |
| Smiles | O=S(c(cc1)ccc1NC(N/N=C\c1cc(F)ccc1)=S)(N1CCOCC1)=O |
| InChI | InChI=1S/C18H19FN4O3S2/c19-15-3-1-2-14(12-15)13-20-22-18(27)21-16-4-6-17(7-5-16)28(24,25)23-8-10-26-11-9-23/h1-7,12-13H,8-11H2,(H2,21,22,27) |
| InChIK | NYHJGBDEQZSHDB-UHFFFAOYSA-N |
| TotalMolweight | 422.504 |
| Molweight | 422.504 |
| MonoisotopicMass | 422.088259 |
| CLogP | 2.7358 |
| CLogS | -3.841 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 310.18 |
| Relative PSA | 0.33709 |
| PolarSurfaceArea | 123.5 |
| Druglikeness | 1.6082 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea | 2 - 1-[(Z)-(3-fluorophenyl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off