N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Formula:C24H19N5O2F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| MolecularFormula | C24H19N5O2F2S |
| Smiles | O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c(cccc1)c1OC(F)F |
| InChI | InChI=1S/C24H19F2N5O2S/c25-23(26)33-20-14-8-7-11-18(20)15-27-28-21(32)16-34-24-30-29-22(17-9-3-1-4-10-17)31(24)19-12-5-2-6-13-19/h1-15,23H,16H2,(H,28,32) |
| InChIK | VHXHZRKJJNZCMS-UHFFFAOYSA-N |
| TotalMolweight | 479.51 |
| Molweight | 479.51 |
| MonoisotopicMass | 479.122751 |
| CLogP | 4.7012 |
| CLogS | -9.038 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 359.68 |
| Relative PSA | 0.25664 |
| PolarSurfaceArea | 106.7 |
| Druglikeness | 2.5299 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide | 2 - N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off