N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Formula:C23H16N6O3Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide |
| MolecularFormula | C23H16N6O3Cl2S |
| Smiles | [O-][N+](c(cc1)cc(/C=N\NC(CSc2nnc(-c3ccccc3)n2-c(cc2)ccc2Cl)=O)c1Cl)=O |
| InChI | InChI=1S/C23H16Cl2N6O3S/c24-17-6-8-18(9-7-17)30-22(15-4-2-1-3-5-15)28-29-23(30)35-14-21(32)27-26-13-16-12-19(31(33)34)10-11-20(16)25/h1-13H,14H2,(H,27,32) |
| InChIK | CCPYOWVVFWBNPK-UHFFFAOYSA-N |
| TotalMolweight | 527.391 |
| Molweight | 527.391 |
| MonoisotopicMass | 526.038163 |
| CLogP | 4.8222 |
| CLogS | -10.348 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 378.99 |
| Relative PSA | 0.29745 |
| PolarSurfaceArea | 143.29 |
| Druglikeness | 0.3391 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51429 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide | 2 - N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
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