(5Z)-5-[(4-bromophenyl)methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C14H12NO3BrS3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(5Z)-5-[(4-bromophenyl)methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-bromophenyl)methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C14H12NO3BrS3 |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2Br)N(C(CC2)CS2(=O)=O)C1=S |
| InChI | InChI=1S/C14H12BrNO3S3/c15-10-3-1-9(2-4-10)7-12-13(17)16(14(20)21-12)11-5-6-22(18,19)8-11/h1-4,7,11H,5-6,8H2/t11-/m0/s1 |
| InChIK | CRUHVJLVWXDCNF-NSHDSACASA-N |
| TotalMolweight | 418.355 |
| Molweight | 418.355 |
| MonoisotopicMass | 416.916265 |
| CLogP | 1.486 |
| CLogS | -4.516 |
| H Acceptors | 4 |
| TotalSurfaceArea | 250.21 |
| Relative PSA | 0.36234 |
| PolarSurfaceArea | 120.22 |
| Druglikeness | -1.5593 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (5Z)-5-[(4-bromophenyl)methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(4-bromophenyl)methylidene]-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
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