[4-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate
Formula:C24H14NO5BrS4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate is not a drug-like molecule.
| MolName | [4-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate |
| MolecularFormula | C24H14NO5BrS4 |
| Smiles | O=C(CCN(C(/C(/S1)=C/c2cccs2)=O)C1=S)Oc(ccc(O1)c2SC1=O)c2-c(cc1)ccc1Br |
| InChI | InChI=1S/C24H14BrNO5S4/c25-14-5-3-13(4-6-14)20-16(7-8-17-21(20)35-24(29)31-17)30-19(27)9-10-26-22(28)18(34-23(26)32)12-15-2-1-11-33-15/h1-8,11-12H,9-10H2 |
| InChIK | TUCDNVVJGKLYNP-UHFFFAOYSA-N |
| TotalMolweight | 604.545 |
| Molweight | 604.545 |
| MonoisotopicMass | 602.893815 |
| CLogP | 4.7332 |
| CLogS | -8.929 |
| H Acceptors | 6 |
| TotalSurfaceArea | 383.82 |
| Relative PSA | 0.38041 |
| PolarSurfaceArea | 183.84 |
| Druglikeness | 1.6789 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate | 2 - [4-(4-bromophenyl)-2-oxo-1,3-benzoxathiol-5-yl] 3-[(5Z)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanoate
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