(E)-N-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
Formula:C25H26N4O7S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-N-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-N-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide |
| MolecularFormula | C25H26N4O7S3 |
| Smiles | O=C(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)NC(Nc1cc(S(NCc2ccco2)(=O)=O)ccc1)=S |
| InChI | InChI=1S/C25H26N4O7S3/c30-24(11-8-19-6-9-22(10-7-19)39(33,34)29-12-15-35-16-13-29)28-25(37)27-20-3-1-5-23(17-20)38(31,32)26-18-21-4-2-14-36-21/h1-11,14,17,26H,12-13,15-16,18H2,(H2,27,28,30,37) |
| InChIK | LRUZLXGTEAPFNY-UHFFFAOYSA-N |
| TotalMolweight | 590.7 |
| Molweight | 590.7 |
| MonoisotopicMass | 590.096361 |
| CLogP | 2.0937 |
| CLogS | -3.807 |
| H Acceptors | 11 |
| H Donors | 3 |
| TotalSurfaceArea | 426.57 |
| Relative PSA | 0.37565 |
| PolarSurfaceArea | 195.9 |
| Druglikeness | -2.4 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 3 |
| StereoCon |
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1 - (E)-N-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide | 2 - (E)-N-[[3-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
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