(5Z)-3-(2,6-dichloro-4-nitrophenyl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazolidin-4-one
Formula:C22H15N3O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(2,6-dichloro-4-nitrophenyl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(2,6-dichloro-4-nitrophenyl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazolidin-4-one |
| MolecularFormula | C22H15N3O3Cl2S |
| Smiles | [O-][N+](c(cc1Cl)cc(Cl)c1N(C(c1ccccc1)N/C1=C\c(cccc2)c2S)C1=O)=O |
| InChI | InChI=1S/C22H15Cl2N3O3S/c23-16-11-15(27(29)30)12-17(24)20(16)26-21(13-6-2-1-3-7-13)25-18(22(26)28)10-14-8-4-5-9-19(14)31/h1-12,21,25,31H/t21-/m0/s1 |
| InChIK | IDLVNKYVYRHPGM-NRFANRHFSA-N |
| TotalMolweight | 472.351 |
| Molweight | 472.351 |
| MonoisotopicMass | 471.021116 |
| CLogP | 2.0622 |
| CLogS | -7.792 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 326.37 |
| Relative PSA | 0.24843 |
| PolarSurfaceArea | 116.96 |
| Druglikeness | -4.2083 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-3-(2,6-dichloro-4-nitrophenyl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazolidin-4-one | 2 - (5Z)-3-(2,6-dichloro-4-nitrophenyl)-2-phenyl-5-[(2-sulfanylphenyl)methylidene]imidazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off