[4-[(Z)-[[2-[benzenesulfonyl(pyridin-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C27H22N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[4-[(Z)-[[2-[benzenesulfonyl(pyridin-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-[benzenesulfonyl(pyridin-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C27H22N4O5S |
| Smiles | O=C(CN(c1ncccc1)S(c1ccccc1)(=O)=O)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C27H22N4O5S/c32-26(20-31(25-13-7-8-18-28-25)37(34,35)24-11-5-2-6-12-24)30-29-19-21-14-16-23(17-15-21)36-27(33)22-9-3-1-4-10-22/h1-19H,20H2,(H,30,32) |
| InChIK | CKSDEANADCTPGC-UHFFFAOYSA-N |
| TotalMolweight | 514.561 |
| Molweight | 514.561 |
| MonoisotopicMass | 514.131091 |
| CLogP | 3.8318 |
| CLogS | -6.126 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 385.66 |
| Relative PSA | 0.26487 |
| PolarSurfaceArea | 126.41 |
| Druglikeness | 0.53875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56757 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [4-[(Z)-[[2-[benzenesulfonyl(pyridin-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-[(Z)-[[2-[benzenesulfonyl(pyridin-2-yl)amino]acetyl]hydrazinylidene]methyl]phenyl] benzoate
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