2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
Formula:C20H23N4O3BrS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide is a drug-like molecule.
| MolName | 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide |
| MolecularFormula | C20H23N4O3BrS |
| Smiles | O=C(CN(C1CCCCC1)S(c(cc1)ccc1Br)(=O)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C20H23BrN4O3S/c21-17-8-10-19(11-9-17)29(27,28)25(18-6-2-1-3-7-18)15-20(26)24-23-14-16-5-4-12-22-13-16/h4-5,8-14,18H,1-3,6-7,15H2,(H,24,26) |
| InChIK | VQNOMEFPVLFKPW-UHFFFAOYSA-N |
| TotalMolweight | 479.398 |
| Molweight | 479.398 |
| MonoisotopicMass | 478.067422 |
| CLogP | 3.3451 |
| CLogS | -4.235 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 324.82 |
| Relative PSA | 0.24355 |
| PolarSurfaceArea | 100.11 |
| Druglikeness | -3.3425 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide | 2 - 2-[(4-bromophenyl)sulfonyl-cyclohexylamino]-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
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