4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)butanamide
Formula:C22H27N3O5S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)butanamide is a drug-like molecule.
| MolName | 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)butanamide |
| MolecularFormula | C22H27N3O5S2 |
| Smiles | O=C(CCCN(C(/C(/S1)=C/c(cc2)cc3c2OCO3)=O)C1=S)NCCCN1CCOCC1 |
| InChI | InChI=1S/C22H27N3O5S2/c26-20(23-6-2-7-24-9-11-28-12-10-24)3-1-8-25-21(27)19(32-22(25)31)14-16-4-5-17-18(13-16)30-15-29-17/h4-5,13-14H,1-3,6-12,15H2,(H,23,26) |
| InChIK | PAVQZDIGKUHMIO-UHFFFAOYSA-N |
| TotalMolweight | 477.604 |
| Molweight | 477.604 |
| MonoisotopicMass | 477.139212 |
| CLogP | 1.6242 |
| CLogS | -3.916 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 356.59 |
| Relative PSA | 0.33689 |
| PolarSurfaceArea | 137.73 |
| Druglikeness | 4.1007 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 17 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)butanamide | 2 - 4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(3-morpholin-4-ylpropyl)butanamide
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