1-[(Z)-furan-2-ylmethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
Formula:C16H18N4O4S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-furan-2-ylmethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea is a drug-like molecule.
| MolName | 1-[(Z)-furan-2-ylmethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea |
| MolecularFormula | C16H18N4O4S2 |
| Smiles | O=S(c(cc1)ccc1NC(N/N=C\c1ccco1)=S)(N1CCOCC1)=O |
| InChI | InChI=1S/C16H18N4O4S2/c21-26(22,20-7-10-23-11-8-20)15-5-3-13(4-6-15)18-16(25)19-17-12-14-2-1-9-24-14/h1-6,9,12H,7-8,10-11H2,(H2,18,19,25) |
| InChIK | IUXAPQVBBGUQBD-UHFFFAOYSA-N |
| TotalMolweight | 394.475 |
| Molweight | 394.475 |
| MonoisotopicMass | 394.076946 |
| CLogP | 1.8237 |
| CLogS | -3.209 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 293.52 |
| Relative PSA | 0.4043 |
| PolarSurfaceArea | 136.64 |
| Druglikeness | 4.427 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(Z)-furan-2-ylmethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea | 2 - 1-[(Z)-furan-2-ylmethylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off