N-benzyl-2-[(3Z)-3-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetamide
Formula:C26H25N3O3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-2-[(3Z)-3-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetamide is a drug-like molecule.
| MolName | N-benzyl-2-[(3Z)-3-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetamide |
| MolecularFormula | C26H25N3O3S2 |
| Smiles | O=C(CN(c(cccc1)c1/C1=C(\C(N2C3CCCCC3)=O)/SC2=S)C1=O)NCc1ccccc1 |
| InChI | InChI=1S/C26H25N3O3S2/c30-21(27-15-17-9-3-1-4-10-17)16-28-20-14-8-7-13-19(20)22(24(28)31)23-25(32)29(26(33)34-23)18-11-5-2-6-12-18/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H,27,30) |
| InChIK | OPPZDGAVDUWJSR-UHFFFAOYSA-N |
| TotalMolweight | 491.635 |
| Molweight | 491.635 |
| MonoisotopicMass | 491.133732 |
| CLogP | 2.212 |
| CLogS | -5.395 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 359.77 |
| Relative PSA | 0.28677 |
| PolarSurfaceArea | 127.11 |
| Druglikeness | 0.29021 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 3 |
| StereoCon |
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1 - N-benzyl-2-[(3Z)-3-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetamide | 2 - N-benzyl-2-[(3Z)-3-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]acetamide
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