N-[4-[[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide
Formula:C24H20N4O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
N-[4-[[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide is a drug-like molecule.
| MolName | N-[4-[[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide |
| MolecularFormula | C24H20N4O3S |
| Smiles | O=C(/C=C/c1ccccc1)NC(NNC(c(cc1)ccc1NC(c1ccccc1)=O)=O)=S |
| InChI | InChI=1S/C24H20N4O3S/c29-21(16-11-17-7-3-1-4-8-17)26-24(32)28-27-23(31)19-12-14-20(15-13-19)25-22(30)18-9-5-2-6-10-18/h1-16H,(H,25,30)(H,27,31)(H2,26,28,29,32) |
| InChIK | FVPRYPVEAQLAOW-UHFFFAOYSA-N |
| TotalMolweight | 444.514 |
| Molweight | 444.514 |
| MonoisotopicMass | 444.125611 |
| CLogP | 3.2767 |
| CLogS | -5.737 |
| H Acceptors | 7 |
| H Donors | 4 |
| TotalSurfaceArea | 351.08 |
| Relative PSA | 0.32175 |
| PolarSurfaceArea | 131.42 |
| Druglikeness | 1.0812 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[4-[[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide | 2 - N-[4-[[[(E)-3-phenylprop-2-enoyl]carbamothioylamino]carbamoyl]phenyl]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off