2-[(3Z)-2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]-N-phenylacetamide
Formula:C24H21N3O4S2
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-phenylacetamide is 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-phenylacetamide |
| MolecularFormula | C24H21N3O4S2 |
| Smiles | O=C(CN(c(cccc1)c1/C1=C(\C(N2CC3OCCC3)=O)/SC2=S)C1=O)Nc1ccccc1 |
| InChI | InChI=1S/C24H21N3O4S2/c28-19(25-15-7-2-1-3-8-15)14-26-18-11-5-4-10-17(18)20(22(26)29)21-23(30)27(24(32)33-21)13-16-9-6-12-31-16/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,25,28)/t16-/m1/s1 |
| InChIK | ZXZXIEMSMKHZHH-MRXNPFEDSA-N |
| TotalMolweight | 479.58 |
| Molweight | 479.58 |
| MonoisotopicMass | 479.097347 |
| CLogP | 1.2467 |
| CLogS | -4.69 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 342.25 |
| Relative PSA | 0.33066 |
| PolarSurfaceArea | 136.34 |
| Druglikeness | 3.8889 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| 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-phenylacetamide | 2 - 2-[(3Z)-2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]-N-phenylacetamide
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