2-[3-[(Z)-[[2-(1-benzylbenzimidazol-2-yl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C25H22N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-[[2-(1-benzylbenzimidazol-2-yl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[3-[(Z)-[[2-(1-benzylbenzimidazol-2-yl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C25H22N4O4S |
| Smiles | OC(COc1cccc(/C=N\NC(CSc2nc(cccc3)c3n2Cc2ccccc2)=O)c1)=O |
| InChI | InChI=1S/C25H22N4O4S/c30-23(28-26-14-19-9-6-10-20(13-19)33-16-24(31)32)17-34-25-27-21-11-4-5-12-22(21)29(25)15-18-7-2-1-3-8-18/h1-14H,15-17H2,(H,28,30)(H,31,32) |
| InChIK | PIDTUBTYMOVDID-UHFFFAOYSA-N |
| TotalMolweight | 474.54 |
| Molweight | 474.54 |
| MonoisotopicMass | 474.136176 |
| CLogP | 3.636 |
| CLogS | -4.489 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 362.18 |
| Relative PSA | 0.29676 |
| PolarSurfaceArea | 131.11 |
| Druglikeness | 6.1151 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[3-[(Z)-[[2-(1-benzylbenzimidazol-2-yl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[3-[(Z)-[[2-(1-benzylbenzimidazol-2-yl)sulfanylacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
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