2-[(3Z)-2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]-N-(2-phenylethyl)acetamide
Formula:C26H25N3O4S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(3Z)-2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-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-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]-N-(2-phenylethyl)acetamide |
| MolecularFormula | C26H25N3O4S2 |
| Smiles | O=C(CN(c(cccc1)c1/C1=C(\C(N2CC3OCCC3)=O)/SC2=S)C1=O)NCCc1ccccc1 |
| InChI | InChI=1S/C26H25N3O4S2/c30-21(27-13-12-17-7-2-1-3-8-17)16-28-20-11-5-4-10-19(20)22(24(28)31)23-25(32)29(26(34)35-23)15-18-9-6-14-33-18/h1-5,7-8,10-11,18H,6,9,12-16H2,(H,27,30)/t18-/m1/s1 |
| InChIK | GFIMEGOFGYOOJD-GOSISDBHSA-N |
| TotalMolweight | 507.634 |
| Molweight | 507.634 |
| MonoisotopicMass | 507.128647 |
| CLogP | 1.3862 |
| CLogS | -4.618 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 369.77 |
| Relative PSA | 0.30606 |
| PolarSurfaceArea | 136.34 |
| Druglikeness | 4.1949 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 2 |
| Amides | 3 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 2-[(3Z)-2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]-N-(2-phenylethyl)acetamide | 2 - 2-[(3Z)-2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]-N-(2-phenylethyl)acetamide
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