4-[[(5Z)-4-oxo-2-phenylimino-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]methyl]benzoate
Formula:C27H21N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[(5Z)-4-oxo-2-phenylimino-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]methyl]benzoate is a drug-like molecule.
| MolName | 4-[[(5Z)-4-oxo-2-phenylimino-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]methyl]benzoate |
| MolecularFormula | C27H21N2O4S |
| Smiles | C=CCOc1ccc(/C=C(/C(N2Cc(cc3)ccc3C([O-])=O)=O)\S/C2=N\c2ccccc2)cc1 |
| InChI | InChI=1S/C27H22N2O4S/c1-2-16-33-23-14-10-19(11-15-23)17-24-25(30)29(18-20-8-12-21(13-9-20)26(31)32)27(34-24)28-22-6-4-3-5-7-22/h2-15,17H,1,16,18H2,(H,31,32)/p-1 |
| InChIK | DGCWECCULFOHPD-UHFFFAOYSA-M |
| TotalMolweight | 469.54 |
| Molweight | 469.54 |
| MonoisotopicMass | 469.122203 |
| CLogP | 2.6152 |
| CLogS | -5.868 |
| H Acceptors | 6 |
| TotalSurfaceArea | 359.84 |
| Relative PSA | 0.23041 |
| PolarSurfaceArea | 107.33 |
| Druglikeness | -0.93551 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-[[(5Z)-4-oxo-2-phenylimino-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]methyl]benzoate | 2 - 4-[[(5Z)-4-oxo-2-phenylimino-5-[(4-prop-2-enoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]methyl]benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off