N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Formula:C23H17N5OCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide |
| MolecularFormula | C23H17N5OCl2S |
| Smiles | O=C(CSc1nnc(-c(cc2)ccc2Cl)n1-c1ccccc1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C23H17Cl2N5OS/c24-18-12-10-16(11-13-18)22-28-29-23(30(22)19-7-2-1-3-8-19)32-15-21(31)27-26-14-17-6-4-5-9-20(17)25/h1-14H,15H2,(H,27,31) |
| InChIK | GIHQHHZCVCKQTR-UHFFFAOYSA-N |
| TotalMolweight | 482.394 |
| Molweight | 482.394 |
| MonoisotopicMass | 481.053084 |
| CLogP | 5.7438 |
| CLogS | -9.888 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 355.32 |
| Relative PSA | 0.23165 |
| PolarSurfaceArea | 97.47 |
| Druglikeness | 5.4489 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| 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 | 4 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
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