2-[3-[(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
Formula:C25H20N4O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide is a drug-like molecule.
| MolName | 2-[3-[(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide |
| MolecularFormula | C25H20N4O3S |
| Smiles | NC(Cn1c(cccc2)c2c(/C=C(/C(N2Cc3ccco3)=O)\S/C2=N\c2ccccc2)c1)=O |
| InChI | InChI=1S/C25H20N4O3S/c26-23(30)16-28-14-17(20-10-4-5-11-21(20)28)13-22-24(31)29(15-19-9-6-12-32-19)25(33-22)27-18-7-2-1-3-8-18/h1-14H,15-16H2,(H2,26,30) |
| InChIK | YOFFUPLUFYMGSB-UHFFFAOYSA-N |
| TotalMolweight | 456.525 |
| Molweight | 456.525 |
| MonoisotopicMass | 456.125611 |
| CLogP | 2.5437 |
| CLogS | -4.754 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 339.78 |
| Relative PSA | 0.27924 |
| PolarSurfaceArea | 119.13 |
| Druglikeness | 5.5439 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[3-[(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide | 2 - 2-[3-[(Z)-[3-(furan-2-ylmethyl)-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
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