3-[(Z)-[4-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C18H15N2O3BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-[4-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-[4-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C18H15N2O3BrS2 |
| Smiles | O=C(CSC1=S)N1/N=C\c(cc1)ccc1OCCOc(cc1)ccc1Br |
| InChI | InChI=1S/C18H15BrN2O3S2/c19-14-3-7-16(8-4-14)24-10-9-23-15-5-1-13(2-6-15)11-20-21-17(22)12-26-18(21)25/h1-8,11H,9-10,12H2 |
| InChIK | XMICBFGMPYKGDS-UHFFFAOYSA-N |
| TotalMolweight | 451.364 |
| Molweight | 451.364 |
| MonoisotopicMass | 449.970744 |
| CLogP | 3.022 |
| CLogS | -5.367 |
| H Acceptors | 5 |
| TotalSurfaceArea | 302.44 |
| Relative PSA | 0.30945 |
| PolarSurfaceArea | 108.52 |
| Druglikeness | -5.1633 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 3-[(Z)-[4-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - 3-[(Z)-[4-[2-(4-bromophenoxy)ethoxy]phenyl]methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
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