2-[(3Z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]-N-(2-phenylethyl)acetamide
Formula:C29H25N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3Z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]-N-(2-phenylethyl)acetamide is not a drug-like molecule.
| MolName | 2-[(3Z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]-N-(2-phenylethyl)acetamide |
| MolecularFormula | C29H25N3O3S2 |
| Smiles | O=C(CN(c(cccc1)c1/C1=C(\C(N2CCc3ccccc3)=O)/SC2=S)C1=O)NCCc1ccccc1 |
| InChI | InChI=1S/C29H25N3O3S2/c33-24(30-17-15-20-9-3-1-4-10-20)19-32-23-14-8-7-13-22(23)25(27(32)34)26-28(35)31(29(36)37-26)18-16-21-11-5-2-6-12-21/h1-14H,15-19H2,(H,30,33) |
| InChIK | YXTZCHJIVATNHA-UHFFFAOYSA-N |
| TotalMolweight | 527.668 |
| Molweight | 527.668 |
| MonoisotopicMass | 527.133732 |
| CLogP | 2.9346 |
| CLogS | -5.368 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 393.01 |
| Relative PSA | 0.26251 |
| PolarSurfaceArea | 127.11 |
| Druglikeness | 5.5099 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56757 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 3 |
| StereoCon |
Click to Load Molecule:
1 - 2-[(3Z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]-N-(2-phenylethyl)acetamide | 2 - 2-[(3Z)-2-oxo-3-[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]-N-(2-phenylethyl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off