(5Z)-5-(2H-chromen-3-ylmethylidene)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C17H15NO4S3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-(2H-chromen-3-ylmethylidene)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-5-(2H-chromen-3-ylmethylidene)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C17H15NO4S3 |
| Smiles | O=C(/C(/S1)=C/C2=Cc(cccc3)c3OC2)N(C(CC2)CS2(=O)=O)C1=S |
| InChI | InChI=1S/C17H15NO4S3/c19-16-15(8-11-7-12-3-1-2-4-14(12)22-9-11)24-17(23)18(16)13-5-6-25(20,21)10-13/h1-4,7-8,13H,5-6,9-10H2/t13-/m1/s1 |
| InChIK | RLXKGHGRYSGDEF-CYBMUJFWSA-N |
| TotalMolweight | 393.507 |
| Molweight | 393.507 |
| MonoisotopicMass | 393.016319 |
| CLogP | 1.171 |
| CLogS | -3.982 |
| H Acceptors | 5 |
| TotalSurfaceArea | 266.55 |
| Relative PSA | 0.37764 |
| PolarSurfaceArea | 129.45 |
| Druglikeness | 1.4197 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 1 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-5-(2H-chromen-3-ylmethylidene)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-5-(2H-chromen-3-ylmethylidene)-3-(1,1-dioxothiolan-3-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off