(2Z)-2-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Formula:C23H13N2O2Cl3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(2Z)-2-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one is not a drug-like molecule.
| MolName | (2Z)-2-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one |
| MolecularFormula | C23H13N2O2Cl3S |
| Smiles | O=C(/C(/S1)=C/c2cc(Cl)cc(Cl)c2OCc(cccc2)c2Cl)n2c1nc1c2cccc1 |
| InChI | InChI=1S/C23H13Cl3N2O2S/c24-15-9-14(21(17(26)11-15)30-12-13-5-1-2-6-16(13)25)10-20-22(29)28-19-8-4-3-7-18(19)27-23(28)31-20/h1-11H,12H2 |
| InChIK | FSCWDCBURUBSQP-UHFFFAOYSA-N |
| TotalMolweight | 487.793 |
| Molweight | 487.793 |
| MonoisotopicMass | 485.976329 |
| CLogP | 6.6723 |
| CLogS | -7.684 |
| H Acceptors | 4 |
| TotalSurfaceArea | 331.81 |
| Relative PSA | 0.17591 |
| PolarSurfaceArea | 69.42 |
| Druglikeness | 3.1946 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one | 2 - (2Z)-2-[[3,5-dichloro-2-[(2-chlorophenyl)methoxy]phenyl]methylidene]-[1,3]thiazolo[3,2-a]benzimidazol-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off