(2Z)-2-[3-(4-bromophenyl)-5-[(4-bromophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
Formula:C19H13N3O2Br2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-[3-(4-bromophenyl)-5-[(4-bromophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide is not a drug-like molecule.
| MolName | (2Z)-2-[3-(4-bromophenyl)-5-[(4-bromophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide |
| MolecularFormula | C19H13N3O2Br2S |
| Smiles | NC(/C(/C#N)=C(/N1c(cc2)ccc2Br)\SC(Cc(cc2)ccc2Br)C1=O)=O |
| InChI | InChI=1S/C19H13Br2N3O2S/c20-12-3-1-11(2-4-12)9-16-18(26)24(14-7-5-13(21)6-8-14)19(27-16)15(10-22)17(23)25/h1-8,16H,9H2,(H2,23,25)/t16-/m1/s1 |
| InChIK | ARWSUMDHEURIMU-MRXNPFEDSA-N |
| TotalMolweight | 507.205 |
| Molweight | 507.205 |
| MonoisotopicMass | 504.909519 |
| CLogP | 4.1053 |
| CLogS | -6.059 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 299.48 |
| Relative PSA | 0.25361 |
| PolarSurfaceArea | 112.49 |
| Druglikeness | -0.59452 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | polar activated DB; twice activated DB |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-2-[3-(4-bromophenyl)-5-[(4-bromophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide | 2 - (2Z)-2-[3-(4-bromophenyl)-5-[(4-bromophenyl)methyl]-4-oxo-1,3-thiazolidin-2-ylidene]-2-cyanoacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off