N-(2-hydroxyethyl)-4-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylbutanamide
Formula:C24H24N2O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-hydroxyethyl)-4-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylbutanamide is a drug-like molecule.
| MolName | N-(2-hydroxyethyl)-4-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylbutanamide |
| MolecularFormula | C24H24N2O3S2 |
| Smiles | OCCN(C(CCCN(C(/C(/S1)=C/C=C/c2ccccc2)=O)C1=S)=O)c1ccccc1 |
| InChI | InChI=1S/C24H24N2O3S2/c27-18-17-25(20-12-5-2-6-13-20)22(28)15-8-16-26-23(29)21(31-24(26)30)14-7-11-19-9-3-1-4-10-19/h1-7,9-14,27H,8,15-18H2 |
| InChIK | RLTNUYCFYLYJRG-UHFFFAOYSA-N |
| TotalMolweight | 452.598 |
| Molweight | 452.598 |
| MonoisotopicMass | 452.122833 |
| CLogP | 3.4839 |
| CLogS | -5.033 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 352.18 |
| Relative PSA | 0.26058 |
| PolarSurfaceArea | 118.24 |
| Druglikeness | 3.7346 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-(2-hydroxyethyl)-4-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylbutanamide | 2 - N-(2-hydroxyethyl)-4-[(5Z)-4-oxo-5-[(E)-3-phenylprop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-phenylbutanamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off