(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C16H15NO4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C16H15NO4S2 |
| Smiles | O=C(/C(/S1)=C/c(cc2)cc3c2OCO3)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C16H15NO4S2/c18-15-14(7-10-3-4-12-13(6-10)21-9-20-12)23-16(22)17(15)8-11-2-1-5-19-11/h3-4,6-7,11H,1-2,5,8-9H2/t11-/m1/s1 |
| InChIK | ZRZKNKDDQWCPRX-LLVKDONJSA-N |
| TotalMolweight | 349.43 |
| Molweight | 349.43 |
| MonoisotopicMass | 349.044249 |
| CLogP | 1.8083 |
| CLogS | -4.534 |
| H Acceptors | 5 |
| TotalSurfaceArea | 247.02 |
| Relative PSA | 0.37276 |
| PolarSurfaceArea | 105.39 |
| Druglikeness | 2.7811 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off