N-[(Z)-(4-bromophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Formula:C23H17N5OBrClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide |
| MolecularFormula | C23H17N5OBrClS |
| Smiles | O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c1ccccc1)N/N=C\c(cc1)ccc1Br |
| InChI | InChI=1S/C23H17BrClN5OS/c24-18-10-6-16(7-11-18)14-26-27-21(31)15-32-23-29-28-22(17-8-12-19(25)13-9-17)30(23)20-4-2-1-3-5-20/h1-14H,15H2,(H,27,31) |
| InChIK | TUCPPBOHVAXJKX-UHFFFAOYSA-N |
| TotalMolweight | 526.845 |
| Molweight | 526.845 |
| MonoisotopicMass | 525.002568 |
| CLogP | 5.863 |
| CLogS | -9.986 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 358.53 |
| Relative PSA | 0.22958 |
| PolarSurfaceArea | 97.47 |
| Druglikeness | 3.6589 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide | 2 - N-[(Z)-(4-bromophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off