[(Z)-(3-morpholin-4-yl-1-phenylpropylidene)amino]thiourea
Formula:C14H20N4OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(3-morpholin-4-yl-1-phenylpropylidene)amino]thiourea is a drug-like molecule.
| MolName | [(Z)-(3-morpholin-4-yl-1-phenylpropylidene)amino]thiourea |
| MolecularFormula | C14H20N4OS |
| Smiles | NC(N/N=C(/CCN1CCOCC1)\c1ccccc1)=S |
| InChI | InChI=1S/C14H20N4OS/c15-14(20)17-16-13(12-4-2-1-3-5-12)6-7-18-8-10-19-11-9-18/h1-5H,6-11H2,(H3,15,17,20) |
| InChIK | JBQFNTOHSZICHI-UHFFFAOYSA-N |
| TotalMolweight | 292.406 |
| Molweight | 292.406 |
| MonoisotopicMass | 292.135781 |
| CLogP | 1.1868 |
| CLogS | -2.718 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 238.28 |
| Relative PSA | 0.33486 |
| PolarSurfaceArea | 94.97 |
| Druglikeness | 3.4966 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-(3-morpholin-4-yl-1-phenylpropylidene)amino]thiourea | 2 - [(Z)-(3-morpholin-4-yl-1-phenylpropylidene)amino]thiourea
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off