2-[2-[(Z)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate
Formula:C25H20N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-[(Z)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate |
| MolecularFormula | C25H20N5O4S |
| Smiles | [O-]C(COc1c(/C=N\NC(CSc2nnc(-c3ccccc3)n2-c2ccccc2)=O)cccc1)=O |
| InChI | InChI=1S/C25H21N5O4S/c31-22(27-26-15-19-11-7-8-14-21(19)34-16-23(32)33)17-35-25-29-28-24(18-9-3-1-4-10-18)30(25)20-12-5-2-6-13-20/h1-15H,16-17H2,(H,27,31)(H,32,33)/p-1 |
| InChIK | GOQNNQMJCNFWRK-UHFFFAOYSA-M |
| TotalMolweight | 486.531 |
| Molweight | 486.531 |
| MonoisotopicMass | 486.1236 |
| CLogP | 1.5158 |
| CLogS | -8.209 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 373.52 |
| Relative PSA | 0.32028 |
| PolarSurfaceArea | 146.83 |
| Druglikeness | 5.3565 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[2-[(Z)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[2-[(Z)-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenoxy]acetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off