2-[2-[(Z)-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]acetate
Formula:C18H13N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-[(Z)-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]acetate |
| MolecularFormula | C18H13N2O4S |
| Smiles | [O-]C(COc1c(/C=C(/C(N2c3ccccc3)=O)\NC2=S)cccc1)=O |
| InChI | InChI=1S/C18H14N2O4S/c21-16(22)11-24-15-9-5-4-6-12(15)10-14-17(23)20(18(25)19-14)13-7-2-1-3-8-13/h1-10H,11H2,(H,19,25)(H,21,22)/p-1 |
| InChIK | LNFDJGSLDDVAGU-UHFFFAOYSA-M |
| TotalMolweight | 353.377 |
| Molweight | 353.377 |
| MonoisotopicMass | 353.059603 |
| CLogP | -0.039099 |
| CLogS | -4.096 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 265.49 |
| Relative PSA | 0.35169 |
| PolarSurfaceArea | 113.79 |
| Druglikeness | 2.9183 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-(5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-ylidene)methyl]phenoxy]acetate
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