1-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-phenacylideneamino]thiourea
Formula:C19H20N4O4S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-phenacylideneamino]thiourea is a drug-like molecule.
| MolName | 1-(4-morpholin-4-ylsulfonylphenyl)-3-[(Z)-phenacylideneamino]thiourea |
| MolecularFormula | C19H20N4O4S2 |
| Smiles | O=C(/C=N\NC(Nc(cc1)ccc1S(N1CCOCC1)(=O)=O)=S)c1ccccc1 |
| InChI | InChI=1S/C19H20N4O4S2/c24-18(15-4-2-1-3-5-15)14-20-22-19(28)21-16-6-8-17(9-7-16)29(25,26)23-10-12-27-13-11-23/h1-9,14H,10-13H2,(H2,21,22,28) |
| InChIK | JQFLQOCJBLWGQE-UHFFFAOYSA-N |
| TotalMolweight | 432.524 |
| Molweight | 432.524 |
| MonoisotopicMass | 432.092596 |
| CLogP | 1.4339 |
| CLogS | -3.595 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 321.58 |
| Relative PSA | 0.36569 |
| PolarSurfaceArea | 140.57 |
| Druglikeness | 4.7162 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 7 |
| Amides | 1 |
| StereoCon |
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