N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Formula:C31H23N8OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| MolecularFormula | C31H23N8OClS |
| Smiles | O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N/N=C\c1cn(-c2ccccc2)nc1-c(cc1)ccc1Cl |
| InChI | InChI=1S/C31H23ClN8OS/c32-25-13-11-22(12-14-25)29-24(20-39(38-29)26-7-3-1-4-8-26)19-34-35-28(41)21-42-31-37-36-30(23-15-17-33-18-16-23)40(31)27-9-5-2-6-10-27/h1-20H,21H2,(H,35,41) |
| InChIK | JESBYGMCLITBEO-UHFFFAOYSA-N |
| TotalMolweight | 591.098 |
| Molweight | 591.098 |
| MonoisotopicMass | 590.140404 |
| CLogP | 5.0559 |
| CLogS | -9.87 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 446.14 |
| Relative PSA | 0.24907 |
| PolarSurfaceArea | 128.18 |
| Druglikeness | 6.566 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.47619 |
| Fragments | 1 |
| Non HAtoms | 42 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 34 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 6 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide | 2 - N-[(Z)-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylideneamino]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
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