2-[4-[(Z)-[[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C25H19N4O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid is not a drug-like molecule.
| MolName | 2-[4-[(Z)-[[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C25H19N4O4ClS |
| Smiles | OC(COc1ccc(/C=N\NC(c(cc2)ccc2-c2csc(Nc(cc3)ccc3Cl)n2)=O)cc1)=O |
| InChI | InChI=1S/C25H19ClN4O4S/c26-19-7-9-20(10-8-19)28-25-29-22(15-35-25)17-3-5-18(6-4-17)24(33)30-27-13-16-1-11-21(12-2-16)34-14-23(31)32/h1-13,15H,14H2,(H,28,29)(H,30,33)(H,31,32) |
| InChIK | TXWSATBBJRPVTL-UHFFFAOYSA-N |
| TotalMolweight | 506.969 |
| Molweight | 506.969 |
| MonoisotopicMass | 506.081553 |
| CLogP | 5.6031 |
| CLogS | -7.339 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 375.95 |
| Relative PSA | 0.30573 |
| PolarSurfaceArea | 141.15 |
| Druglikeness | 5.7461 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! thiazol-2-ylamine; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-[[4-[2-(4-chloroanilino)-1,3-thiazol-4-yl]benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
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