5-[5-[(E)-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-chlorobenzoate
Formula:C28H18N2O4ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-[5-[(E)-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-chlorobenzoate is not a drug-like molecule.
| MolName | 5-[5-[(E)-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-chlorobenzoate |
| MolecularFormula | C28H18N2O4ClS |
| Smiles | [O-]C(c(cc(cc1)-c2ccc(/C=C(\C(N3Cc4ccccc4)=O)/S/C3=N\c3ccccc3)o2)c1Cl)=O |
| InChI | InChI=1S/C28H19ClN2O4S/c29-23-13-11-19(15-22(23)27(33)34)24-14-12-21(35-24)16-25-26(32)31(17-18-7-3-1-4-8-18)28(36-25)30-20-9-5-2-6-10-20/h1-16H,17H2,(H,33,34)/p-1 |
| InChIK | LHWCVPUNKLPXFU-UHFFFAOYSA-M |
| TotalMolweight | 513.98 |
| Molweight | 513.98 |
| MonoisotopicMass | 513.06758 |
| CLogP | 3.5549 |
| CLogS | -7.537 |
| H Acceptors | 6 |
| TotalSurfaceArea | 376.41 |
| Relative PSA | 0.23118 |
| PolarSurfaceArea | 111.24 |
| Druglikeness | 5.4945 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 5-[5-[(E)-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-chlorobenzoate | 2 - 5-[5-[(E)-(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-2-chlorobenzoate
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