N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Formula:C26H19N6OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| MolecularFormula | C26H19N6OClS |
| Smiles | O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N/N=C\c1cc2ccccc2nc1Cl |
| InChI | InChI=1S/C26H19ClN6OS/c27-24-20(15-19-11-7-8-14-22(19)29-24)16-28-30-23(34)17-35-26-32-31-25(18-9-3-1-4-10-18)33(26)21-12-5-2-6-13-21/h1-16H,17H2,(H,30,34) |
| InChIK | YAAHBQUWSXGIHM-UHFFFAOYSA-N |
| TotalMolweight | 498.997 |
| Molweight | 498.997 |
| MonoisotopicMass | 498.102956 |
| CLogP | 5.5512 |
| CLogS | -9.621 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 373.26 |
| Relative PSA | 0.24991 |
| PolarSurfaceArea | 110.36 |
| Druglikeness | 5.4489 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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1 - N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide | 2 - N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
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