[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
Formula:C25H17NO3Cl2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate is not a drug-like molecule.
| MolName | [2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate |
| MolecularFormula | C25H17NO3Cl2S2 |
| Smiles | O=C(C(c1ccccc1)OC(/C(/c1cccs1)=C/c1cccs1)=O)Nc1cc(Cl)cc(Cl)c1 |
| InChI | InChI=1S/C25H17Cl2NO3S2/c26-17-12-18(27)14-19(13-17)28-24(29)23(16-6-2-1-3-7-16)31-25(30)21(22-9-5-11-33-22)15-20-8-4-10-32-20/h1-15,23H,(H,28,29)/t23-/m1/s1 |
| InChIK | YXBNRGFQEVVAKZ-HSZRJFAPSA-N |
| TotalMolweight | 514.452 |
| Molweight | 514.452 |
| MonoisotopicMass | 513.002688 |
| CLogP | 6.2747 |
| CLogS | -6.944 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 369.43 |
| Relative PSA | 0.23891 |
| PolarSurfaceArea | 111.88 |
| Druglikeness | 4.6755 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42424 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - [2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate | 2 - [2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off