(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C26H26N2O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C26H26N2O4S2 |
| Smiles | O=C(CCN(C(/C(/S1)=C/c(cc2)cc3c2OCO3)=O)C1=S)N1CCC(Cc2ccccc2)CC1 |
| InChI | InChI=1S/C26H26N2O4S2/c29-24(27-11-8-19(9-12-27)14-18-4-2-1-3-5-18)10-13-28-25(30)23(34-26(28)33)16-20-6-7-21-22(15-20)32-17-31-21/h1-7,15-16,19H,8-14,17H2 |
| InChIK | DICHOWCEEPOHHL-UHFFFAOYSA-N |
| TotalMolweight | 494.634 |
| Molweight | 494.634 |
| MonoisotopicMass | 494.133398 |
| CLogP | 4.1573 |
| CLogS | -5.775 |
| H Acceptors | 6 |
| TotalSurfaceArea | 366.11 |
| Relative PSA | 0.26951 |
| PolarSurfaceArea | 116.47 |
| Druglikeness | 5.0148 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61765 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 13 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-2-sulfanylidene-1,3-thiazolidin-4-one
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