2-bromo-N-[6-oxo-6-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]hexyl]benzamide
Formula:C19H21N4O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-bromo-N-[6-oxo-6-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]hexyl]benzamide is a drug-like molecule.
| MolName | 2-bromo-N-[6-oxo-6-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]hexyl]benzamide |
| MolecularFormula | C19H21N4O2Br |
| Smiles | O=C(CCCCCNC(c(cccc1)c1Br)=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C19H21BrN4O2/c20-17-9-4-3-8-16(17)19(26)22-12-5-1-2-10-18(25)24-23-14-15-7-6-11-21-13-15/h3-4,6-9,11,13-14H,1-2,5,10,12H2,(H,22,26)(H,24,25) |
| InChIK | CJBMKXHEWWUGGT-UHFFFAOYSA-N |
| TotalMolweight | 417.306 |
| Molweight | 417.306 |
| MonoisotopicMass | 416.084787 |
| CLogP | 3.8272 |
| CLogS | -4.607 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 302.39 |
| Relative PSA | 0.23638 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | -6.2355 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.73077 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2-bromo-N-[6-oxo-6-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]hexyl]benzamide | 2 - 2-bromo-N-[6-oxo-6-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]hexyl]benzamide
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