N-(2-chlorophenyl)-2-[(3Z)-2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetamide
Formula:C24H20N3O4ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2-chlorophenyl)-2-[(3Z)-2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetamide is not a drug-like molecule.
| MolName | N-(2-chlorophenyl)-2-[(3Z)-2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetamide |
| MolecularFormula | C24H20N3O4ClS2 |
| Smiles | O=C(CN(c(cccc1)c1/C1=C(\C(N2CC3OCCC3)=O)/SC2=S)C1=O)Nc(cccc1)c1Cl |
| InChI | InChI=1S/C24H20ClN3O4S2/c25-16-8-2-3-9-17(16)26-19(29)13-27-18-10-4-1-7-15(18)20(22(27)30)21-23(31)28(24(33)34-21)12-14-6-5-11-32-14/h1-4,7-10,14H,5-6,11-13H2,(H,26,29)/t14-/m1/s1 |
| InChIK | NBIMCWASKXKSCI-CQSZACIVSA-N |
| TotalMolweight | 514.025 |
| Molweight | 514.025 |
| MonoisotopicMass | 513.058374 |
| CLogP | 1.8527 |
| CLogS | -5.426 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 357.67 |
| Relative PSA | 0.31641 |
| PolarSurfaceArea | 136.34 |
| Druglikeness | 3.9486 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Amides | 3 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-(2-chlorophenyl)-2-[(3Z)-2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetamide | 2 - N-(2-chlorophenyl)-2-[(3Z)-2-oxo-3-[4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]indol-1-yl]acetamide
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