(E)-3-(furan-2-yl)-N-[[4-[[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]disulfanyl]phenyl]carbamothioyl]prop-2-enamide
Formula:C28H22N4O4S4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
(E)-3-(furan-2-yl)-N-[[4-[[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]disulfanyl]phenyl]carbamothioyl]prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-N-[[4-[[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]disulfanyl]phenyl]carbamothioyl]prop-2-enamide |
| MolecularFormula | C28H22N4O4S4 |
| Smiles | O=C(/C=C/c1ccco1)NC(Nc(cc1)ccc1SSc(cc1)ccc1NC(NC(/C=C/c1ccco1)=O)=S)=S |
| InChI | InChI=1S/C28H22N4O4S4/c33-25(15-9-21-3-1-17-35-21)31-27(37)29-19-5-11-23(12-6-19)39-40-24-13-7-20(8-14-24)30-28(38)32-26(34)16-10-22-4-2-18-36-22/h1-18H,(H2,29,31,33,37)(H2,30,32,34,38) |
| InChIK | LHMWVIRWEARZFE-UHFFFAOYSA-N |
| TotalMolweight | 606.771 |
| Molweight | 606.771 |
| MonoisotopicMass | 606.052386 |
| CLogP | 5.478 |
| CLogS | -7.782 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 466.66 |
| Relative PSA | 0.40955 |
| PolarSurfaceArea | 223.32 |
| Druglikeness | -0.17333 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 22 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(furan-2-yl)-N-[[4-[[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]disulfanyl]phenyl]carbamothioyl]prop-2-enamide | 2 - (E)-3-(furan-2-yl)-N-[[4-[[4-[[(E)-3-(furan-2-yl)prop-2-enoyl]carbamothioylamino]phenyl]disulfanyl]phenyl]carbamothioyl]prop-2-enamide
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