[3-[(E)-(2-anilino-5-oxo-1,3-thiazol-4-ylidene)methyl]phenyl] benzoate
Formula:C23H16N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(E)-(2-anilino-5-oxo-1,3-thiazol-4-ylidene)methyl]phenyl] benzoate is a drug-like molecule.
| MolName | [3-[(E)-(2-anilino-5-oxo-1,3-thiazol-4-ylidene)methyl]phenyl] benzoate |
| MolecularFormula | C23H16N2O3S |
| Smiles | O=C(c1ccccc1)Oc1cccc(/C=C2/N=C(Nc3ccccc3)SC2=O)c1 |
| InChI | InChI=1S/C23H16N2O3S/c26-21(17-9-3-1-4-10-17)28-19-13-7-8-16(14-19)15-20-22(27)29-23(25-20)24-18-11-5-2-6-12-18/h1-15H,(H,24,25) |
| InChIK | SXJGHIBLLVSBJB-UHFFFAOYSA-N |
| TotalMolweight | 400.457 |
| Molweight | 400.457 |
| MonoisotopicMass | 400.088163 |
| CLogP | 4.2666 |
| CLogS | -5.498 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 301.41 |
| Relative PSA | 0.25394 |
| PolarSurfaceArea | 93.06 |
| Druglikeness | 2.1693 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(E)-(2-anilino-5-oxo-1,3-thiazol-4-ylidene)methyl]phenyl] benzoate | 2 - [3-[(E)-(2-anilino-5-oxo-1,3-thiazol-4-ylidene)methyl]phenyl] benzoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off