(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C19H22N2O3S2
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
(5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C19H22N2O3S2 |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2N2CCOCC2)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C19H22N2O3S2/c22-18-17(26-19(25)21(18)13-16-2-1-9-24-16)12-14-3-5-15(6-4-14)20-7-10-23-11-8-20/h3-6,12,16H,1-2,7-11,13H2/t16-/m1/s1 |
| InChIK | WIAJDWOLEKXESO-MRXNPFEDSA-N |
| TotalMolweight | 390.527 |
| Molweight | 390.527 |
| MonoisotopicMass | 390.107183 |
| CLogP | 1.3659 |
| CLogS | -3.926 |
| H Acceptors | 5 |
| TotalSurfaceArea | 288.6 |
| Relative PSA | 0.29671 |
| PolarSurfaceArea | 99.4 |
| Druglikeness | 2.3693 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 13 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon | racemate |
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1 - (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-[(4-morpholin-4-ylphenyl)methylidene]-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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