(5E)-5-[(3-bromophenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C15H14NO2BrS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-[(3-bromophenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5E)-5-[(3-bromophenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C15H14NO2BrS2 |
| Smiles | O=C(/C(/S1)=C\c2cccc(Br)c2)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C15H14BrNO2S2/c16-11-4-1-3-10(7-11)8-13-14(18)17(15(20)21-13)9-12-5-2-6-19-12/h1,3-4,7-8,12H,2,5-6,9H2/t12-/m1/s1 |
| InChIK | HIROVLNEBLWMHZ-GFCCVEGCSA-N |
| TotalMolweight | 384.317 |
| Molweight | 384.317 |
| MonoisotopicMass | 382.96493 |
| CLogP | 2.4221 |
| CLogS | -4.657 |
| H Acceptors | 3 |
| TotalSurfaceArea | 245.39 |
| Relative PSA | 0.29374 |
| PolarSurfaceArea | 86.93 |
| Druglikeness | 0.9956 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (5E)-5-[(3-bromophenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[(3-bromophenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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