4-[[4-[(Z)-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid
Formula:C24H18N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[4-[(Z)-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[[4-[(Z)-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid |
| MolecularFormula | C24H18N2O4S |
| Smiles | OC(c1ccc(COc2ccc(/C=C(/C(N3c4ccccc4)=O)\NC3=S)cc2)cc1)=O |
| InChI | InChI=1S/C24H18N2O4S/c27-22-21(25-24(31)26(22)19-4-2-1-3-5-19)14-16-8-12-20(13-9-16)30-15-17-6-10-18(11-7-17)23(28)29/h1-14H,15H2,(H,25,31)(H,28,29) |
| InChIK | SWBUDXSZQYJUHF-UHFFFAOYSA-N |
| TotalMolweight | 430.483 |
| Molweight | 430.483 |
| MonoisotopicMass | 430.098728 |
| CLogP | 3.8101 |
| CLogS | -5.657 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 324.07 |
| Relative PSA | 0.28448 |
| PolarSurfaceArea | 110.96 |
| Druglikeness | 2.5517 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.64516 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[[4-[(Z)-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid | 2 - 4-[[4-[(Z)-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzoic acid
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