| MolName | [(Z)-[2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methylideneamino] 2-chlorobenzoate |
| MolecularFormula | C23H17N3O2Cl2S |
| Smiles | O=C(c(cccc1)c1Cl)O/N=C\c1c(-c(cc2)ccc2Cl)nc2sc(CCCC3)c3n12 |
| InChI | InChI=1S/C23H17Cl2N3O2S/c24-15-11-9-14(10-12-15)21-19(13-26-30-22(29)16-5-1-2-6-17(16)25)28-18-7-3-4-8-20(18)31-23(28)27-21/h1-2,5-6,9-13H,3-4,7-8H2 |
| InChIK | WIDHTHVIBJVIDU-UHFFFAOYSA-N |
| TotalMolweight | 470.379 |
| Molweight | 470.379 |
| MonoisotopicMass | 469.041851 |
| CLogP | 7.3005 |
| CLogS | -7.022 |
| H Acceptors | 5 |
| TotalSurfaceArea | 337.62 |
| Relative PSA | 0.21868 |
| PolarSurfaceArea | 84.2 |
| Druglikeness | -5.098 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - [(Z)-[2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methylideneamino] 2-chlorobenzoate | 2 - [(Z)-[2-(4-chlorophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methylideneamino] 2-chlorobenzoate